Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:33:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbAlO2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 40 11 2284 994 154 Max 70 41 12 2286 1023 156 Sum 2503 1453 421 82243 36325 5577 bravais-lattice index = 14 lattice parameter (alat) = 10.5696 a.u. unit-cell volume = 834.9606 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.569643 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Rb 9.00 85.46780 Rb( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.5000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0125000 -0.0072169 0.0102062), wk = 0.0036765 k( 3) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0036765 k( 4) = ( 0.0375000 -0.0216506 0.0306186), wk = 0.0036765 k( 5) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0036765 k( 6) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0036765 k( 7) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0036765 k( 8) = ( 0.0875000 -0.0505181 0.0714435), wk = 0.0036765 k( 9) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0036765 k( 10) = ( 0.1125000 -0.0649519 0.0918559), wk = 0.0036765 k( 11) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0036765 k( 12) = ( 0.1375000 -0.0793857 0.1122683), wk = 0.0036765 k( 13) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0036765 k( 14) = ( 0.1625000 -0.0938194 0.1326807), wk = 0.0036765 k( 15) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0036765 k( 16) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0036765 k( 17) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0036765 k( 18) = ( 0.2125000 -0.1226869 0.1735055), wk = 0.0036765 k( 19) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0036765 k( 20) = ( 0.2375000 -0.1371207 0.1939179), wk = 0.0036765 k( 21) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0036765 k( 22) = ( 0.2625000 -0.1515544 0.2143304), wk = 0.0036765 k( 23) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0036765 k( 24) = ( 0.2875000 -0.1659882 0.2347428), wk = 0.0036765 k( 25) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0036765 k( 26) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0036765 k( 27) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0036765 k( 28) = ( 0.3375000 -0.1948557 0.2755676), wk = 0.0036765 k( 29) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0036765 k( 30) = ( 0.3625000 -0.2092895 0.2959800), wk = 0.0036765 k( 31) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0036765 k( 32) = ( 0.3875000 -0.2237232 0.3163924), wk = 0.0036765 k( 33) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0036765 k( 34) = ( 0.4125000 -0.2381570 0.3368048), wk = 0.0036765 k( 35) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0036765 k( 36) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0036765 k( 37) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0036765 k( 38) = ( 0.4625000 -0.2670245 0.3776297), wk = 0.0036765 k( 39) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0036765 k( 40) = ( 0.4875000 -0.2814583 0.3980421), wk = 0.0036765 k( 41) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 k( 42) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 k( 43) = ( 0.5000000 -0.2742414 0.4184545), wk = 0.0036765 k( 44) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0036765 k( 45) = ( 0.5000000 -0.2453739 0.4388669), wk = 0.0036765 k( 46) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0036765 k( 47) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0036765 k( 48) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0036765 k( 49) = ( 0.5000000 -0.1876388 0.4796917), wk = 0.0036765 k( 50) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0036765 k( 51) = ( 0.5000000 -0.1587713 0.5001042), wk = 0.0036765 k( 52) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0036765 k( 53) = ( 0.5000000 -0.1299038 0.5205166), wk = 0.0036765 k( 54) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0036765 k( 55) = ( 0.5000000 -0.1010363 0.5409290), wk = 0.0036765 k( 56) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0036765 k( 57) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0036765 k( 58) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0036765 k( 59) = ( 0.5000000 -0.0433013 0.5817538), wk = 0.0036765 k( 60) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0036765 k( 61) = ( 0.5000000 -0.0144338 0.6021662), wk = 0.0036765 k( 62) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 63) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 64) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0036765 k( 65) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0036765 k( 66) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0036765 k( 67) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0036765 k( 68) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0036765 k( 69) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0036765 k( 70) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0036765 k( 71) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0036765 k( 72) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0036765 k( 73) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0036765 k( 74) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0036765 k( 75) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0036765 k( 76) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0036765 k( 77) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0036765 k( 78) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 79) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 80) = ( 0.3662791 0.2114713 0.5981312), wk = 0.0036765 k( 81) = ( 0.3575581 0.2064363 0.5838900), wk = 0.0036765 k( 82) = ( 0.3488372 0.2014013 0.5696488), wk = 0.0036765 k( 83) = ( 0.3401163 0.1963662 0.5554076), wk = 0.0036765 k( 84) = ( 0.3313953 0.1913312 0.5411663), wk = 0.0036765 k( 85) = ( 0.3226744 0.1862962 0.5269251), wk = 0.0036765 k( 86) = ( 0.3139535 0.1812611 0.5126839), wk = 0.0036765 k( 87) = ( 0.3052326 0.1762261 0.4984427), wk = 0.0036765 k( 88) = ( 0.2965116 0.1711911 0.4842015), wk = 0.0036765 k( 89) = ( 0.2877907 0.1661560 0.4699602), wk = 0.0036765 k( 90) = ( 0.2790698 0.1611210 0.4557190), wk = 0.0036765 k( 91) = ( 0.2703488 0.1560860 0.4414778), wk = 0.0036765 k( 92) = ( 0.2616279 0.1510509 0.4272366), wk = 0.0036765 k( 93) = ( 0.2529070 0.1460159 0.4129954), wk = 0.0036765 k( 94) = ( 0.2441860 0.1409809 0.3987541), wk = 0.0036765 k( 95) = ( 0.2354651 0.1359459 0.3845129), wk = 0.0036765 k( 96) = ( 0.2267442 0.1309108 0.3702717), wk = 0.0036765 k( 97) = ( 0.2180233 0.1258758 0.3560305), wk = 0.0036765 k( 98) = ( 0.2093023 0.1208408 0.3417893), wk = 0.0036765 k( 99) = ( 0.2005814 0.1158057 0.3275480), wk = 0.0036765 k( 100) = ( 0.1918605 0.1107707 0.3133068), wk = 0.0036765 k( 101) = ( 0.1831395 0.1057357 0.2990656), wk = 0.0036765 k( 102) = ( 0.1744186 0.1007006 0.2848244), wk = 0.0036765 k( 103) = ( 0.1656977 0.0956656 0.2705832), wk = 0.0036765 k( 104) = ( 0.1569767 0.0906306 0.2563420), wk = 0.0036765 k( 105) = ( 0.1482558 0.0855955 0.2421007), wk = 0.0036765 k( 106) = ( 0.1395349 0.0805605 0.2278595), wk = 0.0036765 k( 107) = ( 0.1308140 0.0755255 0.2136183), wk = 0.0036765 k( 108) = ( 0.1220930 0.0704904 0.1993771), wk = 0.0036765 k( 109) = ( 0.1133721 0.0654554 0.1851359), wk = 0.0036765 k( 110) = ( 0.1046512 0.0604204 0.1708946), wk = 0.0036765 k( 111) = ( 0.0959302 0.0553853 0.1566534), wk = 0.0036765 k( 112) = ( 0.0872093 0.0503503 0.1424122), wk = 0.0036765 k( 113) = ( 0.0784884 0.0453153 0.1281710), wk = 0.0036765 k( 114) = ( 0.0697674 0.0402803 0.1139298), wk = 0.0036765 k( 115) = ( 0.0610465 0.0352452 0.0996885), wk = 0.0036765 k( 116) = ( 0.0523256 0.0302102 0.0854473), wk = 0.0036765 k( 117) = ( 0.0436047 0.0251752 0.0712061), wk = 0.0036765 k( 118) = ( 0.0348837 0.0201401 0.0569649), wk = 0.0036765 k( 119) = ( 0.0261628 0.0151051 0.0427237), wk = 0.0036765 k( 120) = ( 0.0174419 0.0100701 0.0284824), wk = 0.0036765 k( 121) = ( 0.0087209 0.0050350 0.0142412), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0142857 0.0082479 0.0058321), wk = 0.0036765 k( 125) = ( 0.0285714 0.0164957 0.0116642), wk = 0.0036765 k( 126) = ( 0.0428571 0.0247436 0.0174964), wk = 0.0036765 k( 127) = ( 0.0571429 0.0329914 0.0233285), wk = 0.0036765 k( 128) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0036765 k( 129) = ( 0.0857143 0.0494872 0.0349927), wk = 0.0036765 k( 130) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0036765 k( 131) = ( 0.1142857 0.0659829 0.0466569), wk = 0.0036765 k( 132) = ( 0.1285714 0.0742307 0.0524891), wk = 0.0036765 k( 133) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0036765 k( 134) = ( 0.1571429 0.0907265 0.0641533), wk = 0.0036765 k( 135) = ( 0.1714286 0.0989743 0.0699854), wk = 0.0036765 k( 136) = ( 0.1857143 0.1072222 0.0758175), wk = 0.0036765 k( 137) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0036765 k( 138) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0036765 k( 139) = ( 0.2285714 0.1319658 0.0933139), wk = 0.0036765 k( 140) = ( 0.2428571 0.1402136 0.0991460), wk = 0.0036765 k( 141) = ( 0.2571429 0.1484615 0.1049781), wk = 0.0036765 k( 142) = ( 0.2714286 0.1567094 0.1108102), wk = 0.0036765 k( 143) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0036765 k( 144) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0036765 k( 145) = ( 0.3142857 0.1814529 0.1283066), wk = 0.0036765 k( 146) = ( 0.3285714 0.1897008 0.1341387), wk = 0.0036765 k( 147) = ( 0.3428571 0.1979487 0.1399708), wk = 0.0036765 k( 148) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0036765 k( 149) = ( 0.3714286 0.2144444 0.1516351), wk = 0.0036765 k( 150) = ( 0.3857143 0.2226922 0.1574672), wk = 0.0036765 k( 151) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0036765 k( 152) = ( 0.4142857 0.2391880 0.1691314), wk = 0.0036765 k( 153) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0036765 k( 154) = ( 0.4428571 0.2556837 0.1807957), wk = 0.0036765 k( 155) = ( 0.4571429 0.2639316 0.1866278), wk = 0.0036765 k( 156) = ( 0.4714286 0.2721794 0.1924599), wk = 0.0036765 k( 157) = ( 0.4857143 0.2804273 0.1982920), wk = 0.0036765 k( 158) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 159) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 160) = ( 0.5050000 0.2742414 0.2122891), wk = 0.0036765 k( 161) = ( 0.5100000 0.2598076 0.2204541), wk = 0.0036765 k( 162) = ( 0.5150000 0.2453739 0.2286190), wk = 0.0036765 k( 163) = ( 0.5200000 0.2309401 0.2367840), wk = 0.0036765 k( 164) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0036765 k( 165) = ( 0.5300000 0.2020726 0.2531139), wk = 0.0036765 k( 166) = ( 0.5350000 0.1876388 0.2612789), wk = 0.0036765 k( 167) = ( 0.5400000 0.1732051 0.2694439), wk = 0.0036765 k( 168) = ( 0.5450000 0.1587713 0.2776088), wk = 0.0036765 k( 169) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0036765 k( 170) = ( 0.5550000 0.1299038 0.2939388), wk = 0.0036765 k( 171) = ( 0.5600000 0.1154701 0.3021037), wk = 0.0036765 k( 172) = ( 0.5650000 0.1010363 0.3102687), wk = 0.0036765 k( 173) = ( 0.5700000 0.0866025 0.3184337), wk = 0.0036765 k( 174) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0036765 k( 175) = ( 0.5800000 0.0577350 0.3347636), wk = 0.0036765 k( 176) = ( 0.5850000 0.0433013 0.3429286), wk = 0.0036765 k( 177) = ( 0.5900000 0.0288675 0.3510935), wk = 0.0036765 k( 178) = ( 0.5950000 0.0144338 0.3592585), wk = 0.0036765 k( 179) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0036765 k( 180) = ( 0.6050000 -0.0144338 0.3755884), wk = 0.0036765 k( 181) = ( 0.6100000 -0.0288675 0.3837534), wk = 0.0036765 k( 182) = ( 0.6150000 -0.0433013 0.3919184), wk = 0.0036765 k( 183) = ( 0.6200000 -0.0577350 0.4000833), wk = 0.0036765 k( 184) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 185) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 186) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0036765 k( 187) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0036765 k( 188) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0036765 k( 189) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0036765 k( 190) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0036765 k( 191) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0036765 k( 192) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0036765 k( 193) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0036765 k( 194) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0036765 k( 195) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0036765 k( 196) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0036765 k( 197) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0036765 k( 198) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0036765 k( 199) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0036765 k( 200) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 201) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0036765 k( 202) = ( 0.5000000 0.0099543 0.5982949), wk = 0.0036765 k( 203) = ( 0.5000000 0.0199086 0.5842174), wk = 0.0036765 k( 204) = ( 0.5000000 0.0298629 0.5701399), wk = 0.0036765 k( 205) = ( 0.5000000 0.0398173 0.5560623), wk = 0.0036765 k( 206) = ( 0.5000000 0.0497716 0.5419848), wk = 0.0036765 k( 207) = ( 0.5000000 0.0597259 0.5279073), wk = 0.0036765 k( 208) = ( 0.5000000 0.0696802 0.5138297), wk = 0.0036765 k( 209) = ( 0.5000000 0.0796345 0.4997522), wk = 0.0036765 k( 210) = ( 0.5000000 0.0895888 0.4856747), wk = 0.0036765 k( 211) = ( 0.5000000 0.0995432 0.4715972), wk = 0.0036765 k( 212) = ( 0.5000000 0.1094975 0.4575196), wk = 0.0036765 k( 213) = ( 0.5000000 0.1194518 0.4434421), wk = 0.0036765 k( 214) = ( 0.5000000 0.1294061 0.4293646), wk = 0.0036765 k( 215) = ( 0.5000000 0.1393604 0.4152870), wk = 0.0036765 k( 216) = ( 0.5000000 0.1493147 0.4012095), wk = 0.0036765 k( 217) = ( 0.5000000 0.1592690 0.3871320), wk = 0.0036765 k( 218) = ( 0.5000000 0.1692233 0.3730545), wk = 0.0036765 k( 219) = ( 0.5000000 0.1791777 0.3589770), wk = 0.0036765 k( 220) = ( 0.5000000 0.1891320 0.3448994), wk = 0.0036765 k( 221) = ( 0.5000000 0.1990863 0.3308219), wk = 0.0036765 k( 222) = ( 0.5000000 0.2090406 0.3167444), wk = 0.0036765 k( 223) = ( 0.5000000 0.2189949 0.3026668), wk = 0.0036765 k( 224) = ( 0.5000000 0.2289492 0.2885893), wk = 0.0036765 k( 225) = ( 0.5000000 0.2389036 0.2745118), wk = 0.0036765 k( 226) = ( 0.5000000 0.2488579 0.2604343), wk = 0.0036765 k( 227) = ( 0.5000000 0.2588122 0.2463567), wk = 0.0036765 k( 228) = ( 0.5000000 0.2687665 0.2322792), wk = 0.0036765 k( 229) = ( 0.5000000 0.2787208 0.2182017), wk = 0.0036765 k( 230) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 231) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0036765 k( 232) = ( 0.4950000 0.2857884 0.2204541), wk = 0.0036765 k( 233) = ( 0.4900000 0.2829016 0.2367840), wk = 0.0036765 k( 234) = ( 0.4850000 0.2800149 0.2531139), wk = 0.0036765 k( 235) = ( 0.4800000 0.2771281 0.2694439), wk = 0.0036765 k( 236) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0036765 k( 237) = ( 0.4700000 0.2713546 0.3021037), wk = 0.0036765 k( 238) = ( 0.4650000 0.2684679 0.3184337), wk = 0.0036765 k( 239) = ( 0.4600000 0.2655811 0.3347636), wk = 0.0036765 k( 240) = ( 0.4550000 0.2626944 0.3510935), wk = 0.0036765 k( 241) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0036765 k( 242) = ( 0.4450000 0.2569209 0.3837534), wk = 0.0036765 k( 243) = ( 0.4400000 0.2540341 0.4000833), wk = 0.0036765 k( 244) = ( 0.4350000 0.2511474 0.4164133), wk = 0.0036765 k( 245) = ( 0.4300000 0.2482606 0.4327432), wk = 0.0036765 k( 246) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0036765 k( 247) = ( 0.4200000 0.2424871 0.4654031), wk = 0.0036765 k( 248) = ( 0.4150000 0.2396004 0.4817330), wk = 0.0036765 k( 249) = ( 0.4100000 0.2367136 0.4980629), wk = 0.0036765 k( 250) = ( 0.4050000 0.2338269 0.5143928), wk = 0.0036765 k( 251) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0036765 k( 252) = ( 0.3950000 0.2280534 0.5470527), wk = 0.0036765 k( 253) = ( 0.3900000 0.2251666 0.5633826), wk = 0.0036765 k( 254) = ( 0.3850000 0.2222799 0.5797126), wk = 0.0036765 k( 255) = ( 0.3800000 0.2193931 0.5960425), wk = 0.0036765 k( 256) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0036765 k( 257) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0036765 k( 258) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0036765 k( 259) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0036765 k( 260) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0036765 k( 261) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0036765 k( 262) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0036765 k( 263) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0036765 k( 264) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0036765 k( 265) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0036765 k( 266) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0036765 k( 267) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0036765 k( 268) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0036765 k( 269) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0036765 k( 270) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0036765 k( 271) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0036765 k( 272) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0036765 k( 3) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0036765 k( 4) = ( 0.0375000 -0.0000000 0.0375000), wk = 0.0036765 k( 5) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0036765 k( 6) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0036765 k( 7) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0036765 k( 8) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0036765 k( 9) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0036765 k( 10) = ( 0.1125000 -0.0000000 0.1125000), wk = 0.0036765 k( 11) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0036765 k( 12) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0036765 k( 13) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0036765 k( 14) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0036765 k( 15) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0036765 k( 16) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0036765 k( 17) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0036765 k( 18) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0036765 k( 19) = ( 0.2250000 -0.0000000 0.2250000), wk = 0.0036765 k( 20) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0036765 k( 21) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0036765 k( 22) = ( 0.2625000 -0.0000000 0.2625000), wk = 0.0036765 k( 23) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0036765 k( 24) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0036765 k( 25) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0036765 k( 26) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0036765 k( 27) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0036765 k( 28) = ( 0.3375000 -0.0000000 0.3375000), wk = 0.0036765 k( 29) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0036765 k( 30) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0036765 k( 31) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0036765 k( 32) = ( 0.3875000 -0.0000000 0.3875000), wk = 0.0036765 k( 33) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0036765 k( 34) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0036765 k( 35) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0036765 k( 36) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0036765 k( 37) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0036765 k( 38) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0036765 k( 39) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0036765 k( 40) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0036765 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 k( 43) = ( 0.5000000 0.0125000 0.5125000), wk = 0.0036765 k( 44) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0036765 k( 45) = ( 0.5000000 0.0375000 0.5375000), wk = 0.0036765 k( 46) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0036765 k( 47) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0036765 k( 48) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0036765 k( 49) = ( 0.5000000 0.0875000 0.5875000), wk = 0.0036765 k( 50) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0036765 k( 51) = ( 0.5000000 0.1125000 0.6125000), wk = 0.0036765 k( 52) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0036765 k( 53) = ( 0.5000000 0.1375000 0.6375000), wk = 0.0036765 k( 54) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0036765 k( 55) = ( 0.5000000 0.1625000 0.6625000), wk = 0.0036765 k( 56) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0036765 k( 57) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0036765 k( 58) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0036765 k( 59) = ( 0.5000000 0.2125000 0.7125000), wk = 0.0036765 k( 60) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0036765 k( 61) = ( 0.5000000 0.2375000 0.7375000), wk = 0.0036765 k( 62) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 63) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 64) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0036765 k( 65) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0036765 k( 66) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0036765 k( 67) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0036765 k( 68) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0036765 k( 69) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0036765 k( 70) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0036765 k( 71) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0036765 k( 72) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0036765 k( 73) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0036765 k( 74) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0036765 k( 75) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0036765 k( 76) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0036765 k( 77) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0036765 k( 78) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 79) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 80) = ( 0.3662791 0.3662791 0.7325581), wk = 0.0036765 k( 81) = ( 0.3575581 0.3575581 0.7151163), wk = 0.0036765 k( 82) = ( 0.3488372 0.3488372 0.6976744), wk = 0.0036765 k( 83) = ( 0.3401163 0.3401163 0.6802326), wk = 0.0036765 k( 84) = ( 0.3313953 0.3313953 0.6627907), wk = 0.0036765 k( 85) = ( 0.3226744 0.3226744 0.6453488), wk = 0.0036765 k( 86) = ( 0.3139535 0.3139535 0.6279070), wk = 0.0036765 k( 87) = ( 0.3052326 0.3052326 0.6104651), wk = 0.0036765 k( 88) = ( 0.2965116 0.2965116 0.5930233), wk = 0.0036765 k( 89) = ( 0.2877907 0.2877907 0.5755814), wk = 0.0036765 k( 90) = ( 0.2790698 0.2790698 0.5581395), wk = 0.0036765 k( 91) = ( 0.2703488 0.2703488 0.5406977), wk = 0.0036765 k( 92) = ( 0.2616279 0.2616279 0.5232558), wk = 0.0036765 k( 93) = ( 0.2529070 0.2529070 0.5058140), wk = 0.0036765 k( 94) = ( 0.2441860 0.2441860 0.4883721), wk = 0.0036765 k( 95) = ( 0.2354651 0.2354651 0.4709302), wk = 0.0036765 k( 96) = ( 0.2267442 0.2267442 0.4534884), wk = 0.0036765 k( 97) = ( 0.2180233 0.2180233 0.4360465), wk = 0.0036765 k( 98) = ( 0.2093023 0.2093023 0.4186047), wk = 0.0036765 k( 99) = ( 0.2005814 0.2005814 0.4011628), wk = 0.0036765 k( 100) = ( 0.1918605 0.1918605 0.3837209), wk = 0.0036765 k( 101) = ( 0.1831395 0.1831395 0.3662791), wk = 0.0036765 k( 102) = ( 0.1744186 0.1744186 0.3488372), wk = 0.0036765 k( 103) = ( 0.1656977 0.1656977 0.3313954), wk = 0.0036765 k( 104) = ( 0.1569767 0.1569767 0.3139535), wk = 0.0036765 k( 105) = ( 0.1482558 0.1482558 0.2965116), wk = 0.0036765 k( 106) = ( 0.1395349 0.1395349 0.2790698), wk = 0.0036765 k( 107) = ( 0.1308140 0.1308140 0.2616279), wk = 0.0036765 k( 108) = ( 0.1220930 0.1220930 0.2441861), wk = 0.0036765 k( 109) = ( 0.1133721 0.1133721 0.2267442), wk = 0.0036765 k( 110) = ( 0.1046512 0.1046512 0.2093023), wk = 0.0036765 k( 111) = ( 0.0959302 0.0959302 0.1918605), wk = 0.0036765 k( 112) = ( 0.0872093 0.0872093 0.1744186), wk = 0.0036765 k( 113) = ( 0.0784884 0.0784884 0.1569767), wk = 0.0036765 k( 114) = ( 0.0697674 0.0697674 0.1395349), wk = 0.0036765 k( 115) = ( 0.0610465 0.0610465 0.1220930), wk = 0.0036765 k( 116) = ( 0.0523256 0.0523256 0.1046512), wk = 0.0036765 k( 117) = ( 0.0436047 0.0436047 0.0872093), wk = 0.0036765 k( 118) = ( 0.0348837 0.0348837 0.0697674), wk = 0.0036765 k( 119) = ( 0.0261628 0.0261628 0.0523256), wk = 0.0036765 k( 120) = ( 0.0174419 0.0174419 0.0348837), wk = 0.0036765 k( 121) = ( 0.0087209 0.0087209 0.0174419), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 124) = ( 0.0142857 0.0142857 0.0142857), wk = 0.0036765 k( 125) = ( 0.0285714 0.0285714 0.0285714), wk = 0.0036765 k( 126) = ( 0.0428571 0.0428571 0.0428571), wk = 0.0036765 k( 127) = ( 0.0571429 0.0571429 0.0571429), wk = 0.0036765 k( 128) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0036765 k( 129) = ( 0.0857143 0.0857143 0.0857143), wk = 0.0036765 k( 130) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0036765 k( 131) = ( 0.1142857 0.1142857 0.1142857), wk = 0.0036765 k( 132) = ( 0.1285714 0.1285714 0.1285714), wk = 0.0036765 k( 133) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0036765 k( 134) = ( 0.1571429 0.1571429 0.1571429), wk = 0.0036765 k( 135) = ( 0.1714286 0.1714286 0.1714286), wk = 0.0036765 k( 136) = ( 0.1857143 0.1857143 0.1857143), wk = 0.0036765 k( 137) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0036765 k( 138) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0036765 k( 139) = ( 0.2285714 0.2285714 0.2285714), wk = 0.0036765 k( 140) = ( 0.2428571 0.2428571 0.2428571), wk = 0.0036765 k( 141) = ( 0.2571429 0.2571429 0.2571429), wk = 0.0036765 k( 142) = ( 0.2714286 0.2714286 0.2714286), wk = 0.0036765 k( 143) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0036765 k( 144) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0036765 k( 145) = ( 0.3142857 0.3142857 0.3142857), wk = 0.0036765 k( 146) = ( 0.3285714 0.3285714 0.3285714), wk = 0.0036765 k( 147) = ( 0.3428571 0.3428571 0.3428571), wk = 0.0036765 k( 148) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0036765 k( 149) = ( 0.3714286 0.3714286 0.3714286), wk = 0.0036765 k( 150) = ( 0.3857143 0.3857143 0.3857143), wk = 0.0036765 k( 151) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0036765 k( 152) = ( 0.4142857 0.4142857 0.4142857), wk = 0.0036765 k( 153) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0036765 k( 154) = ( 0.4428571 0.4428571 0.4428571), wk = 0.0036765 k( 155) = ( 0.4571429 0.4571429 0.4571429), wk = 0.0036765 k( 156) = ( 0.4714286 0.4714286 0.4714286), wk = 0.0036765 k( 157) = ( 0.4857143 0.4857143 0.4857143), wk = 0.0036765 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 160) = ( 0.5050000 0.4900000 0.5050000), wk = 0.0036765 k( 161) = ( 0.5100000 0.4800000 0.5100000), wk = 0.0036765 k( 162) = ( 0.5150000 0.4700000 0.5150000), wk = 0.0036765 k( 163) = ( 0.5200000 0.4600000 0.5200000), wk = 0.0036765 k( 164) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0036765 k( 165) = ( 0.5300000 0.4400000 0.5300000), wk = 0.0036765 k( 166) = ( 0.5350000 0.4300000 0.5350000), wk = 0.0036765 k( 167) = ( 0.5400000 0.4200000 0.5400000), wk = 0.0036765 k( 168) = ( 0.5450000 0.4100000 0.5450000), wk = 0.0036765 k( 169) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0036765 k( 170) = ( 0.5550000 0.3900000 0.5550000), wk = 0.0036765 k( 171) = ( 0.5600000 0.3800000 0.5600000), wk = 0.0036765 k( 172) = ( 0.5650000 0.3700000 0.5650000), wk = 0.0036765 k( 173) = ( 0.5700000 0.3600000 0.5700000), wk = 0.0036765 k( 174) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0036765 k( 175) = ( 0.5800000 0.3400000 0.5800000), wk = 0.0036765 k( 176) = ( 0.5850000 0.3300000 0.5850000), wk = 0.0036765 k( 177) = ( 0.5900000 0.3200000 0.5900000), wk = 0.0036765 k( 178) = ( 0.5950000 0.3100000 0.5950000), wk = 0.0036765 k( 179) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0036765 k( 180) = ( 0.6050000 0.2900000 0.6050000), wk = 0.0036765 k( 181) = ( 0.6100000 0.2800000 0.6100000), wk = 0.0036765 k( 182) = ( 0.6150000 0.2700000 0.6150000), wk = 0.0036765 k( 183) = ( 0.6200000 0.2600000 0.6200000), wk = 0.0036765 k( 184) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 185) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 186) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0036765 k( 187) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0036765 k( 188) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0036765 k( 189) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0036765 k( 190) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0036765 k( 191) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0036765 k( 192) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0036765 k( 193) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0036765 k( 194) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0036765 k( 195) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0036765 k( 196) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0036765 k( 197) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0036765 k( 198) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0036765 k( 199) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0036765 k( 200) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 201) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0036765 k( 202) = ( 0.5000000 0.2586207 0.7413793), wk = 0.0036765 k( 203) = ( 0.5000000 0.2672414 0.7327586), wk = 0.0036765 k( 204) = ( 0.5000000 0.2758621 0.7241379), wk = 0.0036765 k( 205) = ( 0.5000000 0.2844828 0.7155172), wk = 0.0036765 k( 206) = ( 0.5000000 0.2931034 0.7068966), wk = 0.0036765 k( 207) = ( 0.5000000 0.3017241 0.6982759), wk = 0.0036765 k( 208) = ( 0.5000000 0.3103448 0.6896552), wk = 0.0036765 k( 209) = ( 0.5000000 0.3189655 0.6810345), wk = 0.0036765 k( 210) = ( 0.5000000 0.3275862 0.6724138), wk = 0.0036765 k( 211) = ( 0.5000000 0.3362069 0.6637931), wk = 0.0036765 k( 212) = ( 0.5000000 0.3448276 0.6551724), wk = 0.0036765 k( 213) = ( 0.5000000 0.3534483 0.6465517), wk = 0.0036765 k( 214) = ( 0.5000000 0.3620690 0.6379310), wk = 0.0036765 k( 215) = ( 0.5000000 0.3706897 0.6293103), wk = 0.0036765 k( 216) = ( 0.5000000 0.3793103 0.6206897), wk = 0.0036765 k( 217) = ( 0.5000000 0.3879310 0.6120690), wk = 0.0036765 k( 218) = ( 0.5000000 0.3965517 0.6034483), wk = 0.0036765 k( 219) = ( 0.5000000 0.4051724 0.5948276), wk = 0.0036765 k( 220) = ( 0.5000000 0.4137931 0.5862069), wk = 0.0036765 k( 221) = ( 0.5000000 0.4224138 0.5775862), wk = 0.0036765 k( 222) = ( 0.5000000 0.4310345 0.5689655), wk = 0.0036765 k( 223) = ( 0.5000000 0.4396552 0.5603448), wk = 0.0036765 k( 224) = ( 0.5000000 0.4482759 0.5517241), wk = 0.0036765 k( 225) = ( 0.5000000 0.4568966 0.5431035), wk = 0.0036765 k( 226) = ( 0.5000000 0.4655172 0.5344828), wk = 0.0036765 k( 227) = ( 0.5000000 0.4741379 0.5258621), wk = 0.0036765 k( 228) = ( 0.5000000 0.4827586 0.5172414), wk = 0.0036765 k( 229) = ( 0.5000000 0.4913793 0.5086207), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 232) = ( 0.4950000 0.4950000 0.5100000), wk = 0.0036765 k( 233) = ( 0.4900000 0.4900000 0.5200000), wk = 0.0036765 k( 234) = ( 0.4850000 0.4850000 0.5300000), wk = 0.0036765 k( 235) = ( 0.4800000 0.4800000 0.5400000), wk = 0.0036765 k( 236) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0036765 k( 237) = ( 0.4700000 0.4700000 0.5600000), wk = 0.0036765 k( 238) = ( 0.4650000 0.4650000 0.5700000), wk = 0.0036765 k( 239) = ( 0.4600000 0.4600000 0.5800000), wk = 0.0036765 k( 240) = ( 0.4550000 0.4550000 0.5900000), wk = 0.0036765 k( 241) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0036765 k( 242) = ( 0.4450000 0.4450000 0.6100000), wk = 0.0036765 k( 243) = ( 0.4400000 0.4400000 0.6200000), wk = 0.0036765 k( 244) = ( 0.4350000 0.4350000 0.6300000), wk = 0.0036765 k( 245) = ( 0.4300000 0.4300000 0.6400000), wk = 0.0036765 k( 246) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0036765 k( 247) = ( 0.4200000 0.4200000 0.6600000), wk = 0.0036765 k( 248) = ( 0.4150000 0.4150000 0.6700000), wk = 0.0036765 k( 249) = ( 0.4100000 0.4100000 0.6800000), wk = 0.0036765 k( 250) = ( 0.4050000 0.4050000 0.6900000), wk = 0.0036765 k( 251) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0036765 k( 252) = ( 0.3950000 0.3950000 0.7100000), wk = 0.0036765 k( 253) = ( 0.3900000 0.3900000 0.7200000), wk = 0.0036765 k( 254) = ( 0.3850000 0.3850000 0.7300000), wk = 0.0036765 k( 255) = ( 0.3800000 0.3800000 0.7400000), wk = 0.0036765 k( 256) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0036765 k( 257) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0036765 k( 258) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0036765 k( 259) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0036765 k( 260) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0036765 k( 261) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0036765 k( 262) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0036765 k( 263) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0036765 k( 264) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0036765 k( 265) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0036765 k( 266) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0036765 k( 267) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0036765 k( 268) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0036765 k( 269) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0036765 k( 270) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0036765 k( 271) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0036765 k( 272) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036765 Dense grid: 82243 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 36325 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 250, 58) NL pseudopotentials 0.37 Mb ( 125, 192) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2285) G-vector shells 0.00 Mb ( 548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.89 Mb ( 250, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.34 Mb ( 192, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbAlO2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.4 secs Computing kpt #: 10 total cpu time spent up to now is 10.2 secs Computing kpt #: 11 total cpu time spent up to now is 10.9 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.5 secs Computing kpt #: 14 total cpu time spent up to now is 13.3 secs Computing kpt #: 15 total cpu time spent up to now is 14.1 secs Computing kpt #: 16 total cpu time spent up to now is 14.9 secs Computing kpt #: 17 total cpu time spent up to now is 15.9 secs Computing kpt #: 18 total cpu time spent up to now is 16.9 secs Computing kpt #: 19 total cpu time spent up to now is 18.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.8 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.9 secs Computing kpt #: 24 total cpu time spent up to now is 21.6 secs Computing kpt #: 25 total cpu time spent up to now is 22.2 secs Computing kpt #: 26 total cpu time spent up to now is 22.9 secs Computing kpt #: 27 total cpu time spent up to now is 23.6 secs Computing kpt #: 28 total cpu time spent up to now is 24.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.9 secs Computing kpt #: 30 total cpu time spent up to now is 25.6 secs Computing kpt #: 31 total cpu time spent up to now is 26.2 secs Computing kpt #: 32 total cpu time spent up to now is 26.8 secs Computing kpt #: 33 total cpu time spent up to now is 27.5 secs Computing kpt #: 34 total cpu time spent up to now is 28.1 secs Computing kpt #: 35 total cpu time spent up to now is 28.9 secs Computing kpt #: 36 total cpu time spent up to now is 29.5 secs Computing kpt #: 37 total cpu time spent up to now is 30.2 secs Computing kpt #: 38 total cpu time spent up to now is 30.8 secs Computing kpt #: 39 total cpu time spent up to now is 31.6 secs Computing kpt #: 40 total cpu time spent up to now is 32.3 secs Computing kpt #: 41 total cpu time spent up to now is 32.9 secs Computing kpt #: 42 total cpu time spent up to now is 33.6 secs Computing kpt #: 43 total cpu time spent up to now is 34.4 secs Computing kpt #: 44 total cpu time spent up to now is 35.1 secs Computing kpt #: 45 total cpu time spent up to now is 35.8 secs Computing kpt #: 46 total cpu time spent up to now is 36.5 secs Computing kpt #: 47 total cpu time spent up to now is 37.1 secs Computing kpt #: 48 total cpu time spent up to now is 37.8 secs Computing kpt #: 49 total cpu time spent up to now is 38.4 secs Computing kpt #: 50 total cpu time spent up to now is 41.4 secs Computing kpt #: 51 total cpu time spent up to now is 42.0 secs Computing kpt #: 52 total cpu time spent up to now is 42.7 secs Computing kpt #: 53 total cpu time spent up to now is 43.4 secs Computing kpt #: 54 total cpu time spent up to now is 44.1 secs Computing kpt #: 55 total cpu time spent up to now is 44.8 secs Computing kpt #: 56 total cpu time spent up to now is 45.6 secs Computing kpt #: 57 total cpu time spent up to now is 46.2 secs Computing kpt #: 58 total cpu time spent up to now is 46.9 secs Computing kpt #: 59 total cpu time spent up to now is 47.6 secs Computing kpt #: 60 total cpu time spent up to now is 48.3 secs Computing kpt #: 61 total cpu time spent up to now is 49.0 secs Computing kpt #: 62 total cpu time spent up to now is 49.7 secs Computing kpt #: 63 total cpu time spent up to now is 50.4 secs Computing kpt #: 64 total cpu time spent up to now is 51.1 secs Computing kpt #: 65 total cpu time spent up to now is 51.8 secs Computing kpt #: 66 total cpu time spent up to now is 52.5 secs Computing kpt #: 67 total cpu time spent up to now is 53.2 secs Computing kpt #: 68 total cpu time spent up to now is 53.9 secs Computing kpt #: 69 total cpu time spent up to now is 54.5 secs Computing kpt #: 70 total cpu time spent up to now is 55.2 secs Computing kpt #: 71 total cpu time spent up to now is 55.9 secs Computing kpt #: 72 total cpu time spent up to now is 56.6 secs Computing kpt #: 73 total cpu time spent up to now is 57.2 secs Computing kpt #: 74 total cpu time spent up to now is 57.9 secs Computing kpt #: 75 total cpu time spent up to now is 58.5 secs Computing kpt #: 76 total cpu time spent up to now is 59.2 secs Computing kpt #: 77 total cpu time spent up to now is 59.8 secs Computing kpt #: 78 total cpu time spent up to now is 60.5 secs Computing kpt #: 79 total cpu time spent up to now is 61.1 secs Computing kpt #: 80 total cpu time spent up to now is 61.8 secs Computing kpt #: 81 total cpu time spent up to now is 62.4 secs Computing kpt #: 82 total cpu time spent up to now is 63.1 secs Computing kpt #: 83 total cpu time spent up to now is 63.7 secs Computing kpt #: 84 total cpu time spent up to now is 64.3 secs Computing kpt #: 85 total cpu time spent up to now is 65.0 secs Computing kpt #: 86 total cpu time spent up to now is 65.6 secs Computing kpt #: 87 total cpu time spent up to now is 66.3 secs Computing kpt #: 88 total cpu time spent up to now is 66.9 secs Computing kpt #: 89 total cpu time spent up to now is 67.5 secs Computing kpt #: 90 total cpu time spent up to now is 68.2 secs Computing kpt #: 91 total cpu time spent up to now is 68.8 secs Computing kpt #: 92 total cpu time spent up to now is 69.4 secs Computing kpt #: 93 total cpu time spent up to now is 70.1 secs Computing kpt #: 94 total cpu time spent up to now is 70.7 secs Computing kpt #: 95 total cpu time spent up to now is 71.4 secs Computing kpt #: 96 total cpu time spent up to now is 72.0 secs Computing kpt #: 97 total cpu time spent up to now is 72.7 secs Computing kpt #: 98 total cpu time spent up to now is 73.3 secs Computing kpt #: 99 total cpu time spent up to now is 74.1 secs Computing kpt #: 100 total cpu time spent up to now is 74.8 secs Computing kpt #: 101 total cpu time spent up to now is 75.5 secs Computing kpt #: 102 total cpu time spent up to now is 76.1 secs Computing kpt #: 103 total cpu time spent up to now is 76.8 secs Computing kpt #: 104 total cpu time spent up to now is 77.5 secs Computing kpt #: 105 total cpu time spent up to now is 78.2 secs Computing kpt #: 106 total cpu time spent up to now is 78.8 secs Computing kpt #: 107 total cpu time spent up to now is 79.6 secs Computing kpt #: 108 total cpu time spent up to now is 80.4 secs Computing kpt #: 109 total cpu time spent up to now is 81.2 secs Computing kpt #: 110 total cpu time spent up to now is 82.0 secs Computing kpt #: 111 total cpu time spent up to now is 82.8 secs Computing kpt #: 112 total cpu time spent up to now is 83.6 secs Computing kpt #: 113 total cpu time spent up to now is 84.4 secs Computing kpt #: 114 total cpu time spent up to now is 85.2 secs Computing kpt #: 115 total cpu time spent up to now is 86.0 secs Computing kpt #: 116 total cpu time spent up to now is 86.8 secs Computing kpt #: 117 total cpu time spent up to now is 87.6 secs Computing kpt #: 118 total cpu time spent up to now is 88.4 secs Computing kpt #: 119 total cpu time spent up to now is 89.2 secs Computing kpt #: 120 total cpu time spent up to now is 90.1 secs Computing kpt #: 121 total cpu time spent up to now is 90.9 secs Computing kpt #: 122 total cpu time spent up to now is 91.5 secs Computing kpt #: 123 total cpu time spent up to now is 92.2 secs Computing kpt #: 124 total cpu time spent up to now is 92.8 secs Computing kpt #: 125 total cpu time spent up to now is 93.5 secs Computing kpt #: 126 total cpu time spent up to now is 94.1 secs Computing kpt #: 127 total cpu time spent up to now is 94.8 secs Computing kpt #: 128 total cpu time spent up to now is 95.5 secs Computing kpt #: 129 total cpu time spent up to now is 96.2 secs Computing kpt #: 130 total cpu time spent up to now is 97.0 secs Computing kpt #: 131 total cpu time spent up to now is 97.8 secs Computing kpt #: 132 total cpu time spent up to now is 98.5 secs Computing kpt #: 133 total cpu time spent up to now is 99.3 secs Computing kpt #: 134 total cpu time spent up to now is 100.1 secs Computing kpt #: 135 total cpu time spent up to now is 100.9 secs Computing kpt #: 136 total cpu time spent up to now is 101.6 secs Computing kpt #: 137 total cpu time spent up to now is 102.3 secs Computing kpt #: 138 total cpu time spent up to now is 102.9 secs Computing kpt #: 139 total cpu time spent up to now is 103.6 secs Computing kpt #: 140 total cpu time spent up to now is 104.2 secs Computing kpt #: 141 total cpu time spent up to now is 104.9 secs Computing kpt #: 142 total cpu time spent up to now is 105.5 secs Computing kpt #: 143 total cpu time spent up to now is 106.2 secs Computing kpt #: 144 total cpu time spent up to now is 106.8 secs Computing kpt #: 145 total cpu time spent up to now is 107.4 secs Computing kpt #: 146 total cpu time spent up to now is 108.1 secs Computing kpt #: 147 total cpu time spent up to now is 109.6 secs Computing kpt #: 148 total cpu time spent up to now is 110.3 secs Computing kpt #: 149 total cpu time spent up to now is 110.9 secs Computing kpt #: 150 total cpu time spent up to now is 111.6 secs Computing kpt #: 151 total cpu time spent up to now is 112.2 secs Computing kpt #: 152 total cpu time spent up to now is 112.9 secs Computing kpt #: 153 total cpu time spent up to now is 113.5 secs Computing kpt #: 154 total cpu time spent up to now is 114.2 secs Computing kpt #: 155 total cpu time spent up to now is 114.9 secs Computing kpt #: 156 total cpu time spent up to now is 115.5 secs Computing kpt #: 157 total cpu time spent up to now is 116.2 secs Computing kpt #: 158 total cpu time spent up to now is 116.8 secs Computing kpt #: 159 total cpu time spent up to now is 117.5 secs Computing kpt #: 160 total cpu time spent up to now is 118.1 secs Computing kpt #: 161 total cpu time spent up to now is 118.8 secs Computing kpt #: 162 total cpu time spent up to now is 119.4 secs Computing kpt #: 163 total cpu time spent up to now is 120.1 secs Computing kpt #: 164 total cpu time spent up to now is 120.8 secs Computing kpt #: 165 total cpu time spent up to now is 121.4 secs Computing kpt #: 166 total cpu time spent up to now is 122.1 secs Computing kpt #: 167 total cpu time spent up to now is 122.7 secs Computing kpt #: 168 total cpu time spent up to now is 123.4 secs Computing kpt #: 169 total cpu time spent up to now is 124.0 secs Computing kpt #: 170 total cpu time spent up to now is 124.7 secs Computing kpt #: 171 total cpu time spent up to now is 125.4 secs Computing kpt #: 172 total cpu time spent up to now is 126.0 secs Computing kpt #: 173 total cpu time spent up to now is 126.7 secs Computing kpt #: 174 total cpu time spent up to now is 127.3 secs Computing kpt #: 175 total cpu time spent up to now is 128.0 secs Computing kpt #: 176 total cpu time spent up to now is 128.7 secs Computing kpt #: 177 total cpu time spent up to now is 129.3 secs Computing kpt #: 178 total cpu time spent up to now is 130.0 secs Computing kpt #: 179 total cpu time spent up to now is 130.6 secs Computing kpt #: 180 total cpu time spent up to now is 131.3 secs Computing kpt #: 181 total cpu time spent up to now is 131.9 secs Computing kpt #: 182 total cpu time spent up to now is 132.6 secs Computing kpt #: 183 total cpu time spent up to now is 133.3 secs Computing kpt #: 184 total cpu time spent up to now is 133.9 secs Computing kpt #: 185 total cpu time spent up to now is 134.5 secs Computing kpt #: 186 total cpu time spent up to now is 135.2 secs Computing kpt #: 187 total cpu time spent up to now is 135.8 secs Computing kpt #: 188 total cpu time spent up to now is 136.5 secs Computing kpt #: 189 total cpu time spent up to now is 137.2 secs Computing kpt #: 190 total cpu time spent up to now is 137.8 secs Computing kpt #: 191 total cpu time spent up to now is 138.5 secs Computing kpt #: 192 total cpu time spent up to now is 139.1 secs Computing kpt #: 193 total cpu time spent up to now is 139.8 secs Computing kpt #: 194 total cpu time spent up to now is 140.5 secs Computing kpt #: 195 total cpu time spent up to now is 141.2 secs Computing kpt #: 196 total cpu time spent up to now is 141.9 secs Computing kpt #: 197 total cpu time spent up to now is 142.5 secs Computing kpt #: 198 total cpu time spent up to now is 143.2 secs Computing kpt #: 199 total cpu time spent up to now is 143.9 secs Computing kpt #: 200 total cpu time spent up to now is 144.7 secs Computing kpt #: 201 total cpu time spent up to now is 145.4 secs Computing kpt #: 202 total cpu time spent up to now is 146.0 secs Computing kpt #: 203 total cpu time spent up to now is 146.7 secs Computing kpt #: 204 total cpu time spent up to now is 147.4 secs Computing kpt #: 205 total cpu time spent up to now is 148.1 secs Computing kpt #: 206 total cpu time spent up to now is 148.8 secs Computing kpt #: 207 total cpu time spent up to now is 149.5 secs Computing kpt #: 208 total cpu time spent up to now is 150.2 secs Computing kpt #: 209 total cpu time spent up to now is 151.0 secs Computing kpt #: 210 total cpu time spent up to now is 151.7 secs Computing kpt #: 211 total cpu time spent up to now is 152.4 secs Computing kpt #: 212 total cpu time spent up to now is 153.0 secs Computing kpt #: 213 total cpu time spent up to now is 153.7 secs Computing kpt #: 214 total cpu time spent up to now is 154.4 secs Computing kpt #: 215 total cpu time spent up to now is 155.0 secs Computing kpt #: 216 total cpu time spent up to now is 155.6 secs Computing kpt #: 217 total cpu time spent up to now is 156.3 secs Computing kpt #: 218 total cpu time spent up to now is 156.9 secs Computing kpt #: 219 total cpu time spent up to now is 157.6 secs Computing kpt #: 220 total cpu time spent up to now is 158.2 secs Computing kpt #: 221 total cpu time spent up to now is 158.9 secs Computing kpt #: 222 total cpu time spent up to now is 159.5 secs Computing kpt #: 223 total cpu time spent up to now is 160.2 secs Computing kpt #: 224 total cpu time spent up to now is 160.8 secs Computing kpt #: 225 total cpu time spent up to now is 161.5 secs Computing kpt #: 226 total cpu time spent up to now is 162.1 secs Computing kpt #: 227 total cpu time spent up to now is 162.8 secs Computing kpt #: 228 total cpu time spent up to now is 163.5 secs Computing kpt #: 229 total cpu time spent up to now is 164.1 secs Computing kpt #: 230 total cpu time spent up to now is 164.8 secs Computing kpt #: 231 total cpu time spent up to now is 165.4 secs Computing kpt #: 232 total cpu time spent up to now is 166.1 secs Computing kpt #: 233 total cpu time spent up to now is 166.7 secs Computing kpt #: 234 total cpu time spent up to now is 167.4 secs Computing kpt #: 235 total cpu time spent up to now is 168.0 secs Computing kpt #: 236 total cpu time spent up to now is 168.7 secs Computing kpt #: 237 total cpu time spent up to now is 169.4 secs Computing kpt #: 238 total cpu time spent up to now is 170.0 secs Computing kpt #: 239 total cpu time spent up to now is 170.7 secs Computing kpt #: 240 total cpu time spent up to now is 171.4 secs Computing kpt #: 241 total cpu time spent up to now is 172.0 secs Computing kpt #: 242 total cpu time spent up to now is 172.7 secs Computing kpt #: 243 total cpu time spent up to now is 173.3 secs Computing kpt #: 244 total cpu time spent up to now is 174.0 secs Computing kpt #: 245 total cpu time spent up to now is 174.7 secs Computing kpt #: 246 total cpu time spent up to now is 175.3 secs Computing kpt #: 247 total cpu time spent up to now is 175.9 secs Computing kpt #: 248 total cpu time spent up to now is 176.6 secs Computing kpt #: 249 total cpu time spent up to now is 177.2 secs Computing kpt #: 250 total cpu time spent up to now is 177.9 secs Computing kpt #: 251 total cpu time spent up to now is 178.5 secs Computing kpt #: 252 total cpu time spent up to now is 179.2 secs Computing kpt #: 253 total cpu time spent up to now is 179.9 secs Computing kpt #: 254 total cpu time spent up to now is 180.5 secs Computing kpt #: 255 total cpu time spent up to now is 181.1 secs Computing kpt #: 256 total cpu time spent up to now is 181.8 secs Computing kpt #: 257 total cpu time spent up to now is 182.4 secs Computing kpt #: 258 total cpu time spent up to now is 183.1 secs Computing kpt #: 259 total cpu time spent up to now is 183.7 secs Computing kpt #: 260 total cpu time spent up to now is 184.4 secs Computing kpt #: 261 total cpu time spent up to now is 185.0 secs Computing kpt #: 262 total cpu time spent up to now is 185.7 secs Computing kpt #: 263 total cpu time spent up to now is 186.3 secs Computing kpt #: 264 total cpu time spent up to now is 187.0 secs Computing kpt #: 265 total cpu time spent up to now is 187.6 secs Computing kpt #: 266 total cpu time spent up to now is 188.3 secs Computing kpt #: 267 total cpu time spent up to now is 189.0 secs Computing kpt #: 268 total cpu time spent up to now is 189.6 secs Computing kpt #: 269 total cpu time spent up to now is 190.3 secs Computing kpt #: 270 total cpu time spent up to now is 190.9 secs Computing kpt #: 271 total cpu time spent up to now is 191.6 secs Computing kpt #: 272 total cpu time spent up to now is 192.2 secs ethr = 2.08E-08, avg # of iterations = 19.5 total cpu time spent up to now is 192.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -20.4865 -20.4865 -20.2057 -20.2057 -11.8408 -11.8408 -10.6335 -10.6335 -10.6294 -10.6294 -10.6294 -10.6294 -5.3531 -5.3531 -4.8439 -4.8439 -4.5141 -4.5141 -4.5141 -4.5141 -3.9646 -3.9646 -3.9646 -3.9646 -0.7888 -0.7888 1.8793 1.8793 1.9102 1.9102 1.9102 1.9102 3.2758 3.2758 3.2758 3.2758 4.2622 4.2622 4.3147 4.3147 4.3147 4.3147 5.5712 5.5712 5.5886 5.5886 5.5886 5.5886 9.3576 9.3576 12.1562 12.1562 12.1779 12.1779 12.1779 12.1779 13.3607 13.3607 k = 0.0125-0.0072 0.0102 ( 4573 PWs) bands (ev): -20.4864 -20.4864 -20.2058 -20.2058 -11.8405 -11.8405 -10.6338 -10.6338 -10.6297 -10.6297 -10.6294 -10.6294 -5.3531 -5.3531 -4.8446 -4.8446 -4.5143 -4.5143 -4.5134 -4.5134 -3.9643 -3.9643 -3.9643 -3.9643 -0.7875 -0.7875 1.8795 1.8795 1.9098 1.9098 1.9108 1.9108 3.2764 3.2764 3.2765 3.2765 4.2612 4.2612 4.3131 4.3131 4.3143 4.3143 5.5702 5.5702 5.5876 5.5876 5.5876 5.5876 9.3615 9.3615 12.1565 12.1565 12.1772 12.1772 12.1802 12.1802 13.3611 13.3611 k = 0.0250-0.0144 0.0204 ( 4585 PWs) bands (ev): -20.4860 -20.4860 -20.2061 -20.2061 -11.8395 -11.8395 -10.6346 -10.6346 -10.6307 -10.6307 -10.6295 -10.6295 -5.3532 -5.3532 -4.8470 -4.8470 -4.5147 -4.5147 -4.5113 -4.5113 -3.9634 -3.9634 -3.9633 -3.9633 -0.7838 -0.7838 1.8798 1.8798 1.9088 1.9088 1.9128 1.9128 3.2784 3.2784 3.2788 3.2788 4.2581 4.2581 4.3084 4.3084 4.3132 4.3132 5.5670 5.5670 5.5844 5.5844 5.5844 5.5844 9.3731 9.3731 12.1543 12.1543 12.1782 12.1782 12.1869 12.1869 13.3626 13.3626 k = 0.0375-0.0217 0.0306 ( 4585 PWs) bands (ev): -20.4855 -20.4855 -20.2067 -20.2067 -11.8378 -11.8378 -10.6367 -10.6367 -10.6315 -10.6315 -10.6297 -10.6297 -5.3532 -5.3532 -4.8508 -4.8508 -4.5154 -4.5154 -4.5078 -4.5078 -3.9620 -3.9620 -3.9617 -3.9617 -0.7775 -0.7775 1.8794 1.8794 1.9082 1.9082 1.9160 1.9160 3.2817 3.2817 3.2826 3.2826 4.2524 4.2524 4.3014 4.3014 4.3113 4.3113 5.5618 5.5618 5.5791 5.5791 5.5793 5.5793 9.3924 9.3924 12.1444 12.1444 12.1863 12.1863 12.1980 12.1980 13.3649 13.3649 k = 0.0500-0.0289 0.0408 ( 4577 PWs) bands (ev): -20.4847 -20.4847 -20.2074 -20.2074 -11.8355 -11.8355 -10.6403 -10.6403 -10.6322 -10.6322 -10.6299 -10.6299 -5.3532 -5.3532 -4.8559 -4.8559 -4.5163 -4.5163 -4.5031 -4.5031 -3.9601 -3.9601 -3.9595 -3.9595 -0.7688 -0.7688 1.8770 1.8770 1.9090 1.9090 1.9205 1.9205 3.2863 3.2863 3.2879 3.2879 4.2430 4.2430 4.2930 4.2930 4.3087 4.3087 5.5546 5.5546 5.5718 5.5718 5.5721 5.5721 9.4193 9.4193 12.1276 12.1276 12.2006 12.2006 12.2134 12.2134 13.3682 13.3682 k = 0.0625-0.0361 0.0510 ( 4569 PWs) bands (ev): -20.4837 -20.4837 -20.2084 -20.2084 -11.8325 -11.8325 -10.6451 -10.6451 -10.6326 -10.6326 -10.6302 -10.6302 -5.3532 -5.3532 -4.8623 -4.8623 -4.5174 -4.5174 -4.4974 -4.4974 -3.9577 -3.9577 -3.9567 -3.9567 -0.7576 -0.7576 1.8718 1.8718 1.9123 1.9123 1.9264 1.9264 3.2920 3.2920 3.2947 3.2947 4.2291 4.2291 4.2844 4.2844 4.3053 4.3053 5.5454 5.5454 5.5625 5.5625 5.5630 5.5630 9.4534 9.4534 12.1057 12.1057 12.2197 12.2197 12.2329 12.2329 13.3725 13.3725 k = 0.0750-0.0433 0.0612 ( 4569 PWs) bands (ev): -20.4825 -20.4825 -20.2096 -20.2096 -11.8288 -11.8288 -10.6512 -10.6512 -10.6331 -10.6331 -10.6306 -10.6306 -5.3532 -5.3532 -4.8698 -4.8698 -4.5187 -4.5187 -4.4907 -4.4907 -3.9547 -3.9547 -3.9534 -3.9534 -0.7440 -0.7440 1.8638 1.8638 1.9180 1.9180 1.9334 1.9334 3.2989 3.2989 3.3031 3.3031 4.2102 4.2102 4.2764 4.2764 4.3011 4.3011 5.5343 5.5343 5.5512 5.5512 5.5521 5.5521 9.4946 9.4946 12.0793 12.0793 12.2430 12.2430 12.2563 12.2563 13.3777 13.3777 k = 0.0875-0.0505 0.0714 ( 4577 PWs) bands (ev): -20.4811 -20.4811 -20.2110 -20.2110 -11.8245 -11.8245 -10.6584 -10.6584 -10.6336 -10.6336 -10.6311 -10.6311 -5.3531 -5.3531 -4.8782 -4.8782 -4.5201 -4.5201 -4.4832 -4.4832 -3.9514 -3.9514 -3.9496 -3.9496 -0.7280 -0.7280 1.8534 1.8534 1.9258 1.9258 1.9418 1.9418 3.3067 3.3067 3.3129 3.3129 4.1865 4.1865 4.2687 4.2687 4.2961 4.2961 5.5214 5.5214 5.5380 5.5380 5.5395 5.5395 9.5425 9.5425 12.0490 12.0490 12.2701 12.2701 12.2834 12.2834 13.3839 13.3839 k = 0.1000-0.0577 0.0816 ( 4577 PWs) bands (ev): -20.4795 -20.4795 -20.2126 -20.2126 -11.8194 -11.8194 -10.6667 -10.6667 -10.6341 -10.6341 -10.6316 -10.6316 -5.3530 -5.3530 -4.8874 -4.8874 -4.5215 -4.5215 -4.4752 -4.4752 -3.9477 -3.9477 -3.9454 -3.9454 -0.7096 -0.7096 1.8410 1.8410 1.9353 1.9353 1.9514 1.9514 3.3155 3.3155 3.3242 3.3242 4.1588 4.1588 4.2612 4.2612 4.2903 4.2903 5.5067 5.5067 5.5230 5.5230 5.5253 5.5253 9.5968 9.5968 12.0154 12.0154 12.3006 12.3006 12.3139 12.3139 13.3910 13.3910 k = 0.1125-0.0650 0.0919 ( 4573 PWs) bands (ev): -20.4776 -20.4776 -20.2144 -20.2144 -11.8137 -11.8137 -10.6761 -10.6761 -10.6346 -10.6346 -10.6321 -10.6321 -5.3527 -5.3527 -4.8972 -4.8972 -4.5230 -4.5230 -4.4666 -4.4666 -3.9436 -3.9436 -3.9408 -3.9408 -0.6889 -0.6889 1.8268 1.8268 1.9463 1.9463 1.9622 1.9622 3.3251 3.3251 3.3370 3.3370 4.1276 4.1276 4.2534 4.2534 4.2837 4.2837 5.4903 5.4903 5.5063 5.5063 5.5097 5.5097 9.6572 9.6572 11.9790 11.9790 12.3341 12.3341 12.3474 12.3474 13.3992 13.3992 k = 0.1250-0.0722 0.1021 ( 4557 PWs) bands (ev): -20.4756 -20.4756 -20.2164 -20.2164 -11.8073 -11.8073 -10.6865 -10.6865 -10.6352 -10.6352 -10.6328 -10.6328 -5.3524 -5.3524 -4.9075 -4.9075 -4.5244 -4.5244 -4.4578 -4.4578 -3.9392 -3.9392 -3.9359 -3.9359 -0.6659 -0.6659 1.8110 1.8110 1.9588 1.9588 1.9742 1.9742 3.3352 3.3352 3.3512 3.3512 4.0935 4.0935 4.2452 4.2452 4.2762 4.2762 5.4722 5.4722 5.4882 5.4882 5.4928 5.4928 9.7232 9.7232 11.9402 11.9402 12.3701 12.3701 12.3835 12.3835 13.4084 13.4084 k = 0.1375-0.0794 0.1123 ( 4553 PWs) bands (ev): -20.4733 -20.4733 -20.2186 -20.2186 -11.8003 -11.8003 -10.6980 -10.6980 -10.6358 -10.6358 -10.6334 -10.6334 -5.3519 -5.3519 -4.9182 -4.9182 -4.5257 -4.5257 -4.4487 -4.4487 -3.9347 -3.9347 -3.9308 -3.9308 -0.6407 -0.6407 1.7938 1.7938 1.9726 1.9726 1.9874 1.9874 3.3459 3.3459 3.3669 3.3669 4.0569 4.0569 4.2363 4.2363 4.2678 4.2678 5.4524 5.4524 5.4690 5.4690 5.4749 5.4749 9.7945 9.7945 11.8996 11.8996 12.4082 12.4082 12.4216 12.4216 13.4185 13.4185 k = 0.1500-0.0866 0.1225 ( 4545 PWs) bands (ev): -20.4709 -20.4709 -20.2210 -20.2210 -11.7925 -11.7925 -10.7104 -10.7104 -10.6365 -10.6365 -10.6341 -10.6341 -5.3513 -5.3513 -4.9292 -4.9292 -4.5268 -4.5268 -4.4395 -4.4395 -3.9299 -3.9299 -3.9254 -3.9254 -0.6134 -0.6134 1.7751 1.7751 1.9876 1.9876 2.0017 2.0017 3.3569 3.3569 3.3841 3.3841 4.0184 4.0184 4.2267 4.2267 4.2584 4.2584 5.4307 5.4307 5.4489 5.4489 5.4560 5.4560 9.8707 9.8707 11.8578 11.8578 12.4476 12.4476 12.4612 12.4612 13.4298 13.4298 k = 0.1625-0.0938 0.1327 ( 4564 PWs) bands (ev): -20.4682 -20.4682 -20.2236 -20.2236 -11.7841 -11.7841 -10.7239 -10.7239 -10.6372 -10.6372 -10.6349 -10.6349 -5.3504 -5.3504 -4.9405 -4.9405 -4.5277 -4.5277 -4.4303 -4.4303 -3.9250 -3.9250 -3.9200 -3.9200 -0.5839 -0.5839 1.7550 1.7550 2.0039 2.0039 2.0171 2.0171 3.3680 3.3680 3.4026 3.4026 3.9782 3.9782 4.2163 4.2163 4.2482 4.2482 5.4070 5.4070 5.4283 5.4283 5.4364 5.4364 9.9513 9.9513 11.8153 11.8153 12.4876 12.4876 12.5015 12.5015 13.4420 13.4420 k = 0.1750-0.1010 0.1429 ( 4564 PWs) bands (ev): -20.4654 -20.4654 -20.2264 -20.2264 -11.7750 -11.7750 -10.7383 -10.7383 -10.6379 -10.6379 -10.6357 -10.6357 -5.3494 -5.3494 -4.9519 -4.9519 -4.5284 -4.5284 -4.4212 -4.4212 -3.9201 -3.9201 -3.9144 -3.9144 -0.5523 -0.5523 1.7337 1.7337 2.0213 2.0213 2.0337 2.0337 3.3792 3.3792 3.4226 3.4226 3.9368 3.9368 4.2051 4.2051 4.2370 4.2370 5.3814 5.3814 5.4074 5.4074 5.4162 5.4162 10.0360 10.0360 11.7726 11.7726 12.5275 12.5275 12.5419 12.5419 13.4554 13.4554 k = 0.1875-0.1083 0.1531 ( 4576 PWs) bands (ev): -20.4624 -20.4624 -20.2294 -20.2294 -11.7652 -11.7652 -10.7536 -10.7536 -10.6387 -10.6387 -10.6365 -10.6365 -5.3481 -5.3481 -4.9634 -4.9634 -4.5287 -4.5287 -4.4123 -4.4123 -3.9151 -3.9151 -3.9088 -3.9088 -0.5188 -0.5188 1.7112 1.7112 2.0398 2.0398 2.0512 2.0512 3.3901 3.3901 3.4439 3.4439 3.8946 3.8946 4.1930 4.1930 4.2248 4.2248 5.3539 5.3539 5.3863 5.3863 5.3957 5.3957 10.1243 10.1243 11.7302 11.7302 12.5662 12.5662 12.5813 12.5813 13.4698 13.4698 k = 0.2000-0.1155 0.1633 ( 4576 PWs) bands (ev): -20.4592 -20.4592 -20.2325 -20.2325 -11.7547 -11.7547 -10.7698 -10.7698 -10.6395 -10.6395 -10.6374 -10.6374 -5.3465 -5.3465 -4.9749 -4.9749 -4.5286 -4.5286 -4.4036 -4.4036 -3.9102 -3.9102 -3.9033 -3.9033 -0.4833 -0.4833 1.6875 1.6875 2.0593 2.0593 2.0698 2.0698 3.4007 3.4007 3.4666 3.4666 3.8519 3.8519 4.1800 4.1800 4.2116 4.2116 5.3247 5.3247 5.3653 5.3653 5.3750 5.3750 10.2160 10.2160 11.6887 11.6887 12.6027 12.6027 12.6188 12.6188 13.4853 13.4853 k = 0.2125-0.1227 0.1735 ( 4576 PWs) bands (ev): -20.4558 -20.4558 -20.2358 -20.2358 -11.7435 -11.7435 -10.7869 -10.7869 -10.6403 -10.6403 -10.6383 -10.6383 -5.3447 -5.3447 -4.9864 -4.9864 -4.5280 -4.5280 -4.3953 -4.3953 -3.9054 -3.9054 -3.8979 -3.8979 -0.4459 -0.4459 1.6627 1.6627 2.0798 2.0798 2.0892 2.0892 3.4107 3.4107 3.4906 3.4906 3.8092 3.8092 4.1661 4.1661 4.1975 4.1975 5.2938 5.2938 5.3444 5.3444 5.3543 5.3543 10.3105 10.3105 11.6486 11.6486 12.6359 12.6359 12.6531 12.6531 13.5019 13.5019 k = 0.2250-0.1299 0.1837 ( 4576 PWs) bands (ev): -20.4523 -20.4523 -20.2393 -20.2393 -11.7316 -11.7316 -10.8048 -10.8048 -10.6412 -10.6412 -10.6392 -10.6392 -5.3426 -5.3426 -4.9980 -4.9980 -4.5271 -4.5271 -4.3874 -4.3874 -3.9007 -3.9007 -3.8926 -3.8926 -0.4068 -0.4068 1.6367 1.6367 2.1012 2.1012 2.1096 2.1096 3.4200 3.4200 3.5159 3.5159 3.7667 3.7667 4.1513 4.1513 4.1823 4.1823 5.2615 5.2615 5.3238 5.3238 5.3337 5.3337 10.4075 10.4075 11.6103 11.6103 12.6645 12.6645 12.6830 12.6830 13.5196 13.5196 k = 0.2375-0.1371 0.1939 ( 4560 PWs) bands (ev): -20.4486 -20.4486 -20.2429 -20.2429 -11.7190 -11.7190 -10.8234 -10.8234 -10.6420 -10.6420 -10.6401 -10.6401 -5.3402 -5.3402 -5.0094 -5.0094 -4.5256 -4.5256 -4.3799 -4.3799 -3.8962 -3.8962 -3.8874 -3.8874 -0.3659 -0.3659 1.6096 1.6096 2.1234 2.1234 2.1307 2.1307 3.4285 3.4285 3.5426 3.5426 3.7247 3.7247 4.1356 4.1356 4.1662 4.1662 5.2277 5.2277 5.3035 5.3035 5.3133 5.3133 10.5066 10.5066 11.5744 11.5744 12.6876 12.6876 12.7075 12.7075 13.5380 13.5380 k = 0.2500-0.1443 0.2041 ( 4552 PWs) bands (ev): -20.4447 -20.4447 -20.2467 -20.2467 -11.7058 -11.7058 -10.8429 -10.8429 -10.6428 -10.6428 -10.6410 -10.6410 -5.3375 -5.3375 -5.0207 -5.0207 -4.5236 -4.5236 -4.3729 -4.3729 -3.8919 -3.8919 -3.8825 -3.8825 -0.3234 -0.3234 1.5813 1.5813 2.1462 2.1462 2.1525 2.1525 3.4360 3.4360 3.5705 3.5705 3.6837 3.6837 4.1191 4.1191 4.1492 4.1492 5.1926 5.1926 5.2838 5.2838 5.2935 5.2935 10.6075 10.6075 11.5413 11.5413 12.7043 12.7043 12.7255 12.7255 13.5230 13.5230 k = 0.2625-0.1516 0.2143 ( 4560 PWs) bands (ev): -20.4407 -20.4407 -20.2507 -20.2507 -11.6919 -11.6919 -10.8630 -10.8630 -10.6437 -10.6437 -10.6420 -10.6420 -5.3344 -5.3344 -5.0320 -5.0320 -4.5210 -4.5210 -4.3665 -4.3665 -3.8878 -3.8878 -3.8778 -3.8778 -0.2794 -0.2794 1.5519 1.5519 2.1697 2.1697 2.1750 2.1750 3.4423 3.4423 3.5996 3.5996 3.6439 3.6439 4.1017 4.1017 4.1313 4.1313 5.1562 5.1562 5.2647 5.2647 5.2742 5.2742 10.7097 10.7097 11.5114 11.5114 12.7142 12.7142 12.7366 12.7366 13.4362 13.4362 k = 0.2750-0.1588 0.2245 ( 4560 PWs) bands (ev): -20.4365 -20.4365 -20.2548 -20.2548 -11.6773 -11.6773 -10.8837 -10.8837 -10.6445 -10.6445 -10.6429 -10.6429 -5.3311 -5.3311 -5.0431 -5.0431 -4.5179 -4.5179 -4.3608 -4.3608 -3.8839 -3.8839 -3.8734 -3.8734 -0.2338 -0.2338 1.5213 1.5213 2.1937 2.1937 2.1980 2.1980 3.4473 3.4473 3.6056 3.6056 3.6299 3.6299 4.0836 4.0836 4.1126 4.1126 5.1186 5.1186 5.2464 5.2464 5.2556 5.2556 10.8131 10.8131 11.4851 11.4851 12.7174 12.7174 12.7406 12.7406 13.3476 13.3476 k = 0.2875-0.1660 0.2347 ( 4552 PWs) bands (ev): -20.4322 -20.4322 -20.2590 -20.2590 -11.6620 -11.6620 -10.9051 -10.9051 -10.6453 -10.6453 -10.6438 -10.6438 -5.3273 -5.3273 -5.0541 -5.0541 -4.5143 -4.5143 -4.3557 -4.3557 -3.8803 -3.8803 -3.8692 -3.8692 -0.1869 -0.1869 1.4894 1.4894 2.2181 2.2181 2.2214 2.2214 3.4511 3.4511 3.5691 3.5691 3.6614 3.6614 4.0649 4.0649 4.0931 4.0931 5.0800 5.0800 5.2288 5.2288 5.2377 5.2377 10.9171 10.9171 11.4627 11.4627 12.7143 12.7143 12.7380 12.7380 13.2588 13.2588 k = 0.3000-0.1732 0.2449 ( 4568 PWs) bands (ev): -20.4278 -20.4278 -20.2634 -20.2634 -11.6461 -11.6461 -10.9271 -10.9271 -10.6462 -10.6462 -10.6447 -10.6447 -5.3233 -5.3233 -5.0650 -5.0650 -4.5100 -4.5100 -4.3514 -4.3514 -3.8769 -3.8769 -3.8654 -3.8654 -0.1386 -0.1386 1.4562 1.4562 2.2426 2.2426 2.2450 2.2450 3.4533 3.4533 3.5346 3.5346 3.6940 3.6940 4.0456 4.0456 4.0730 4.0730 5.0404 5.0404 5.2122 5.2122 5.2207 5.2207 11.0215 11.0215 11.4446 11.4446 12.7058 12.7058 12.7296 12.7296 13.1699 13.1699 k = 0.3125-0.1804 0.2552 ( 4568 PWs) bands (ev): -20.4233 -20.4233 -20.2679 -20.2679 -11.6295 -11.6295 -10.9495 -10.9495 -10.6470 -10.6470 -10.6456 -10.6456 -5.3189 -5.3189 -5.0757 -5.0757 -4.5053 -4.5053 -4.3478 -4.3478 -3.8737 -3.8737 -3.8619 -3.8619 -0.0891 -0.0891 1.4216 1.4216 2.2673 2.2673 2.2688 2.2688 3.4542 3.4542 3.5024 3.5024 3.7277 3.7277 4.0259 4.0259 4.0524 4.0524 4.9999 4.9999 5.1965 5.1965 5.2047 5.2047 11.1260 11.1260 11.4310 11.4310 12.6930 12.6930 12.7164 12.7164 13.0813 13.0813 k = 0.3250-0.1876 0.2654 ( 4560 PWs) bands (ev): -20.4186 -20.4186 -20.2725 -20.2725 -11.6123 -11.6123 -10.9724 -10.9724 -10.6477 -10.6477 -10.6464 -10.6464 -5.3142 -5.3142 -5.0863 -5.0863 -4.4999 -4.4999 -4.3450 -4.3450 -3.8708 -3.8708 -3.8588 -3.8588 -0.0385 -0.0385 1.3856 1.3856 2.2920 2.2920 2.2927 2.2927 3.4535 3.4535 3.4728 3.4728 3.7625 3.7625 4.0059 4.0059 4.0314 4.0314 4.9585 4.9585 5.1819 5.1819 5.1896 5.1896 11.2300 11.2300 11.4221 11.4221 12.6769 12.6769 12.6996 12.6996 12.9932 12.9932 k = 0.3375-0.1949 0.2756 ( 4544 PWs) bands (ev): -20.4138 -20.4138 -20.2772 -20.2772 -11.5945 -11.5945 -10.9958 -10.9958 -10.6484 -10.6484 -10.6473 -10.6473 -5.3091 -5.3091 -5.0967 -5.0967 -4.4941 -4.4941 -4.3431 -4.3431 -3.8682 -3.8682 -3.8560 -3.8560 0.0132 0.0132 1.3481 1.3481 2.3163 2.3163 2.3164 2.3164 3.4458 3.4458 3.4514 3.4514 3.7983 3.7983 3.9859 3.9859 4.0103 4.0103 4.9164 4.9164 5.1683 5.1683 5.1755 5.1755 11.3333 11.3333 11.4181 11.4181 12.6585 12.6585 12.6802 12.6802 12.9059 12.9059 k = 0.3500-0.2021 0.2858 ( 4544 PWs) bands (ev): -20.4090 -20.4090 -20.2821 -20.2821 -11.5760 -11.5760 -11.0195 -11.0195 -10.6491 -10.6491 -10.6480 -10.6480 -5.3037 -5.3037 -5.1069 -5.1069 -4.4877 -4.4877 -4.3420 -4.3420 -3.8657 -3.8657 -3.8535 -3.8535 0.0658 0.0658 1.3092 1.3092 2.3396 2.3396 2.3403 2.3403 3.4216 3.4216 3.4478 3.4478 3.8350 3.8350 3.9659 3.9659 3.9891 3.9891 4.8735 4.8735 5.1558 5.1558 5.1625 5.1625 11.4192 11.4192 11.4355 11.4355 12.6388 12.6388 12.6594 12.6594 12.8198 12.8198 k = 0.3625-0.2093 0.2960 ( 4548 PWs) bands (ev): -20.4040 -20.4040 -20.2870 -20.2870 -11.5570 -11.5570 -11.0435 -11.0435 -10.6498 -10.6498 -10.6488 -10.6488 -5.2980 -5.2980 -5.1171 -5.1171 -4.4809 -4.4809 -4.3418 -4.3418 -3.8634 -3.8634 -3.8514 -3.8514 0.1193 0.1193 1.2687 1.2687 2.3624 2.3624 2.3636 2.3636 3.4003 3.4003 3.4429 3.4429 3.8727 3.8727 3.9462 3.9462 3.9681 3.9681 4.8301 4.8301 5.1443 5.1443 5.1506 5.1506 11.4254 11.4254 11.5359 11.5359 12.6186 12.6186 12.6378 12.6378 12.7354 12.7354 k = 0.3750-0.2165 0.3062 ( 4544 PWs) bands (ev): -20.3989 -20.3989 -20.2920 -20.2920 -11.5373 -11.5373 -11.0678 -11.0678 -10.6504 -10.6504 -10.6495 -10.6495 -5.2921 -5.2921 -5.1270 -5.1270 -4.4737 -4.4737 -4.3424 -4.3424 -3.8613 -3.8613 -3.8496 -3.8496 0.1735 0.1735 1.2266 1.2266 2.3844 2.3844 2.3861 2.3861 3.3820 3.3820 3.4368 3.4368 3.9112 3.9112 3.9272 3.9272 3.9475 3.9475 4.7862 4.7862 5.1340 5.1340 5.1397 5.1397 11.4368 11.4368 11.6339 11.6339 12.5986 12.5986 12.6162 12.6162 12.6534 12.6534 k = 0.3875-0.2237 0.3164 ( 4548 PWs) bands (ev): -20.3938 -20.3938 -20.2971 -20.2971 -11.5171 -11.5171 -11.0923 -11.0923 -10.6510 -10.6510 -10.6501 -10.6501 -5.2858 -5.2858 -5.1368 -5.1368 -4.4661 -4.4661 -4.3439 -4.3439 -3.8593 -3.8593 -3.8481 -3.8481 0.2284 0.2284 1.1830 1.1830 2.4054 2.4054 2.4074 2.4074 3.3667 3.3667 3.4296 3.4296 3.9087 3.9087 3.9277 3.9277 3.9508 3.9508 4.7419 4.7419 5.1247 5.1247 5.1299 5.1299 11.4534 11.4534 11.7284 11.7284 12.5746 12.5746 12.5792 12.5792 12.5954 12.5954 k = 0.4000-0.2309 0.3266 ( 4532 PWs) bands (ev): -20.3886 -20.3886 -20.3023 -20.3023 -11.4964 -11.4964 -11.1170 -11.1170 -10.6515 -10.6515 -10.6507 -10.6507 -5.2792 -5.2792 -5.1465 -5.1465 -4.4581 -4.4581 -4.3463 -4.3463 -3.8575 -3.8575 -3.8470 -3.8470 0.2838 0.2838 1.1379 1.1379 2.4252 2.4252 2.4274 2.4274 3.3543 3.3543 3.4213 3.4213 3.8914 3.8914 3.9087 3.9087 3.9911 3.9911 4.6971 4.6971 5.1165 5.1165 5.1211 5.1211 11.4750 11.4750 11.8177 11.8177 12.5014 12.5014 12.5610 12.5610 12.5756 12.5756 k = 0.4125-0.2382 0.3368 ( 4536 PWs) bands (ev): -20.3833 -20.3833 -20.3075 -20.3075 -11.4752 -11.4752 -11.1418 -11.1418 -10.6519 -10.6519 -10.6513 -10.6513 -5.2724 -5.2724 -5.1560 -5.1560 -4.4499 -4.4499 -4.3495 -4.3495 -3.8558 -3.8558 -3.8462 -3.8462 0.3395 0.3395 1.0914 1.0914 2.4435 2.4435 2.4458 2.4458 3.3449 3.3449 3.4124 3.4124 3.8755 3.8755 3.8909 3.8909 4.0320 4.0320 4.6521 4.6521 5.1093 5.1093 5.1134 5.1134 11.5018 11.5018 11.8982 11.8982 12.4369 12.4369 12.5443 12.5443 12.5572 12.5572 k = 0.4250-0.2454 0.3470 ( 4544 PWs) bands (ev): -20.3780 -20.3780 -20.3128 -20.3128 -11.4534 -11.4534 -11.1667 -11.1667 -10.6523 -10.6523 -10.6518 -10.6518 -5.2654 -5.2654 -5.1654 -5.1654 -4.4416 -4.4416 -4.3535 -4.3535 -3.8542 -3.8542 -3.8456 -3.8456 0.3956 0.3956 1.0434 1.0434 2.4601 2.4601 2.4624 2.4624 3.3383 3.3383 3.4028 3.4028 3.8611 3.8611 3.8747 3.8747 4.0737 4.0737 4.6069 4.6069 5.1032 5.1032 5.1067 5.1067 11.5334 11.5334 11.9630 11.9630 12.3885 12.3885 12.5295 12.5295 12.5406 12.5406 k = 0.4375-0.2526 0.3572 ( 4528 PWs) bands (ev): -20.3726 -20.3726 -20.3182 -20.3182 -11.4313 -11.4313 -11.1915 -11.1915 -10.6526 -10.6526 -10.6522 -10.6522 -5.2581 -5.2581 -5.1746 -5.1746 -4.4330 -4.4330 -4.3582 -4.3582 -3.8528 -3.8528 -3.8453 -3.8453 0.4518 0.4518 0.9940 0.9940 2.4748 2.4748 2.4769 2.4769 3.3343 3.3343 3.3929 3.3929 3.8486 3.8486 3.8601 3.8601 4.1161 4.1161 4.5616 4.5616 5.0981 5.0981 5.1010 5.1010 11.5697 11.5697 11.9995 11.9995 12.3685 12.3685 12.5167 12.5167 12.5261 12.5261 k = 0.4500-0.2598 0.3674 ( 4516 PWs) bands (ev): -20.3672 -20.3672 -20.3235 -20.3235 -11.4086 -11.4086 -11.2164 -11.2164 -10.6529 -10.6529 -10.6525 -10.6525 -5.2506 -5.2506 -5.1837 -5.1837 -4.4245 -4.4245 -4.3637 -4.3637 -3.8514 -3.8514 -3.8453 -3.8453 0.5081 0.5081 0.9434 0.9434 2.4872 2.4872 2.4891 2.4891 3.3329 3.3329 3.3830 3.3830 3.8382 3.8382 3.8476 3.8476 4.1590 4.1590 4.5162 4.5162 5.0941 5.0941 5.0964 5.0964 11.6104 11.6104 11.9982 11.9982 12.3869 12.3869 12.5062 12.5062 12.5139 12.5139 k = 0.4625-0.2670 0.3776 ( 4516 PWs) bands (ev): -20.3618 -20.3618 -20.3290 -20.3290 -11.3856 -11.3856 -11.2411 -11.2411 -10.6531 -10.6531 -10.6528 -10.6528 -5.2428 -5.2428 -5.1926 -5.1926 -4.4159 -4.4159 -4.3698 -4.3698 -3.8502 -3.8502 -3.8454 -3.8454 0.5643 0.5643 0.8917 0.8917 2.4972 2.4972 2.4987 2.4987 3.3337 3.3337 3.3732 3.3732 3.8301 3.8301 3.8372 3.8372 4.2024 4.2024 4.4708 4.4708 5.0910 5.0910 5.0927 5.0927 11.6553 11.6553 11.9663 11.9663 12.4362 12.4362 12.4980 12.4980 12.5044 12.5044 k = 0.4750-0.2742 0.3878 ( 4516 PWs) bands (ev): -20.3563 -20.3563 -20.3344 -20.3344 -11.3622 -11.3622 -11.2658 -11.2658 -10.6532 -10.6532 -10.6530 -10.6530 -5.2349 -5.2349 -5.2014 -5.2014 -4.4075 -4.4075 -4.3765 -4.3765 -3.8490 -3.8490 -3.8458 -3.8458 0.6202 0.6202 0.8389 0.8389 2.5046 2.5046 2.5056 2.5056 3.3366 3.3366 3.3639 3.3639 3.8246 3.8246 3.8294 3.8294 4.2463 4.2463 4.4254 4.4254 5.0888 5.0888 5.0900 5.0900 11.7039 11.7039 11.9187 11.9187 12.4915 12.4915 12.4924 12.4924 12.5079 12.5079 k = 0.4875-0.2815 0.3980 ( 4528 PWs) bands (ev): -20.3508 -20.3508 -20.3399 -20.3399 -11.3385 -11.3385 -11.2903 -11.2903 -10.6533 -10.6533 -10.6532 -10.6532 -5.2268 -5.2268 -5.2101 -5.2101 -4.3993 -4.3993 -4.3837 -4.3837 -3.8480 -3.8480 -3.8464 -3.8464 0.6758 0.6758 0.7853 0.7853 2.5092 2.5092 2.5097 2.5097 3.3414 3.3414 3.3553 3.3553 3.8217 3.8217 3.8241 3.8241 4.2906 4.2906 4.3803 4.3803 5.0877 5.0877 5.0883 5.0883 11.7557 11.7557 11.8649 11.8649 12.4893 12.4893 12.4907 12.4907 12.5775 12.5775 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3145 -11.3145 -11.3145 -11.3145 -10.6533 -10.6533 -10.6533 -10.6533 -5.2185 -5.2185 -5.2185 -5.2185 -4.3913 -4.3913 -4.3913 -4.3913 -3.8471 -3.8471 -3.8471 -3.8471 0.7308 0.7308 0.7308 0.7308 2.5109 2.5109 2.5109 2.5109 3.3477 3.3477 3.3477 3.3477 3.8215 3.8215 3.8215 3.8215 4.3353 4.3353 4.3353 4.3353 5.0875 5.0875 5.0875 5.0875 11.8098 11.8098 11.8098 11.8098 12.4887 12.4887 12.4887 12.4887 12.6534 12.6534 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3145 -11.3145 -11.3145 -11.3145 -10.6533 -10.6533 -10.6533 -10.6533 -5.2185 -5.2185 -5.2185 -5.2185 -4.3913 -4.3913 -4.3913 -4.3913 -3.8471 -3.8471 -3.8471 -3.8471 0.7308 0.7308 0.7308 0.7308 2.5109 2.5109 2.5109 2.5109 3.3477 3.3477 3.3477 3.3477 3.8215 3.8215 3.8215 3.8215 4.3353 4.3353 4.3353 4.3353 5.0875 5.0875 5.0875 5.0875 11.8098 11.8098 11.8098 11.8098 12.4887 12.4887 12.4887 12.4887 12.6534 12.6534 k = 0.5000-0.2742 0.4185 ( 4528 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3146 -11.3146 -11.3145 -11.3145 -10.6533 -10.6533 -10.6532 -10.6532 -5.2212 -5.2212 -5.2156 -5.2156 -4.4017 -4.4017 -4.3808 -4.3808 -3.8553 -3.8553 -3.8394 -3.8394 0.7311 0.7311 0.7311 0.7311 2.5100 2.5100 2.5105 2.5105 3.3475 3.3475 3.3478 3.3478 3.8221 3.8221 3.8228 3.8228 4.3357 4.3357 4.3357 4.3357 5.0865 5.0865 5.0869 5.0869 11.8095 11.8095 11.8101 11.8101 12.4796 12.4796 12.4843 12.4843 12.6574 12.6574 k = 0.5000-0.2598 0.4287 ( 4524 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3147 -11.3147 -11.3147 -11.3147 -10.6532 -10.6532 -10.6530 -10.6530 -5.2237 -5.2237 -5.2124 -5.2124 -4.4121 -4.4121 -4.3703 -4.3703 -3.8638 -3.8638 -3.8320 -3.8320 0.7317 0.7317 0.7318 0.7318 2.5078 2.5078 2.5088 2.5088 3.3472 3.3472 3.3478 3.3478 3.8246 3.8246 3.8260 3.8260 4.3368 4.3368 4.3368 4.3368 5.0838 5.0838 5.0846 5.0846 11.8093 11.8093 11.8104 11.8104 12.4606 12.4606 12.4679 12.4679 12.6740 12.6740 k = 0.5000-0.2454 0.4389 ( 4524 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3149 -11.3149 -11.3148 -11.3148 -10.6530 -10.6530 -10.6527 -10.6527 -5.2260 -5.2260 -5.2091 -5.2091 -4.4223 -4.4223 -4.3599 -4.3599 -3.8727 -3.8727 -3.8251 -3.8251 0.7328 0.7328 0.7329 0.7329 2.5045 2.5045 2.5059 2.5059 3.3469 3.3469 3.3478 3.3478 3.8289 3.8289 3.8311 3.8311 4.3386 4.3386 4.3387 4.3387 5.0795 5.0795 5.0807 5.0807 11.8090 11.8090 11.8107 11.8107 12.4361 12.4361 12.4445 12.4445 12.6987 12.6987 k = 0.5000-0.2309 0.4491 ( 4524 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3151 -11.3151 -11.3151 -11.3151 -10.6527 -10.6527 -10.6524 -10.6524 -5.2281 -5.2281 -5.2056 -5.2056 -4.4324 -4.4324 -4.3494 -4.3494 -3.8820 -3.8820 -3.8186 -3.8186 0.7344 0.7344 0.7345 0.7345 2.5000 2.5000 2.5019 2.5019 3.3465 3.3465 3.3477 3.3477 3.8350 3.8350 3.8378 3.8378 4.3412 4.3412 4.3412 4.3412 5.0736 5.0736 5.0753 5.0753 11.8088 11.8088 11.8111 11.8111 12.4091 12.4091 12.4177 12.4177 12.7279 12.7279 k = 0.5000-0.2165 0.4593 ( 4528 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3155 -11.3155 -11.3154 -11.3154 -10.6523 -10.6523 -10.6520 -10.6520 -5.2299 -5.2299 -5.2020 -5.2020 -4.4424 -4.4424 -4.3390 -4.3390 -3.8914 -3.8914 -3.8126 -3.8126 0.7363 0.7363 0.7364 0.7364 2.4944 2.4944 2.4968 2.4968 3.3460 3.3460 3.3475 3.3475 3.8426 3.8426 3.8460 3.8460 4.3444 4.3444 4.3445 4.3445 5.0663 5.0663 5.0684 5.0684 11.8086 11.8086 11.8114 11.8114 12.3811 12.3811 12.3893 12.3893 12.7598 12.7598 k = 0.5000-0.2021 0.4695 ( 4536 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3158 -11.3158 -11.3158 -11.3158 -10.6519 -10.6519 -10.6515 -10.6515 -5.2315 -5.2315 -5.1982 -5.1982 -4.4521 -4.4521 -4.3287 -4.3287 -3.9011 -3.9011 -3.8071 -3.8071 0.7385 0.7385 0.7386 0.7386 2.4881 2.4881 2.4909 2.4909 3.3454 3.3454 3.3473 3.3473 3.8516 3.8516 3.8556 3.8556 4.3482 4.3482 4.3484 4.3484 5.0576 5.0576 5.0602 5.0602 11.8084 11.8084 11.8117 11.8117 12.3529 12.3529 12.3607 12.3607 12.7934 12.7934 k = 0.5000-0.1876 0.4797 ( 4542 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3163 -11.3163 -11.3162 -11.3162 -10.6514 -10.6514 -10.6509 -10.6509 -5.2330 -5.2330 -5.1944 -5.1944 -4.4615 -4.4615 -4.3186 -4.3186 -3.9110 -3.9110 -3.8019 -3.8019 0.7410 0.7410 0.7412 0.7412 2.4811 2.4811 2.4843 2.4843 3.3448 3.3448 3.3470 3.3470 3.8617 3.8617 3.8663 3.8663 4.3527 4.3527 4.3530 4.3530 5.0477 5.0477 5.0507 5.0507 11.8082 11.8082 11.8120 11.8120 12.3251 12.3251 12.3323 12.3323 12.8284 12.8284 k = 0.5000-0.1732 0.4899 ( 4546 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3167 -11.3167 -11.3167 -11.3167 -10.6508 -10.6508 -10.6503 -10.6503 -5.2342 -5.2342 -5.1906 -5.1906 -4.4706 -4.4706 -4.3086 -4.3086 -3.9210 -3.9210 -3.7973 -3.7973 0.7438 0.7438 0.7439 0.7439 2.4736 2.4736 2.4772 2.4772 3.3441 3.3441 3.3467 3.3467 3.8727 3.8727 3.8778 3.8778 4.3576 4.3576 4.3582 4.3582 5.0367 5.0367 5.0403 5.0403 11.8080 11.8080 11.8123 11.8123 12.2980 12.2980 12.3046 12.3046 12.8643 12.8643 k = 0.5000-0.1588 0.5001 ( 4542 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3172 -11.3172 -11.3171 -11.3171 -10.6503 -10.6503 -10.6497 -10.6497 -5.2352 -5.2352 -5.1868 -5.1868 -4.4793 -4.4793 -4.2987 -4.2987 -3.9309 -3.9309 -3.7930 -3.7930 0.7467 0.7467 0.7468 0.7468 2.4657 2.4657 2.4697 2.4697 3.3433 3.3433 3.3463 3.3463 3.8843 3.8843 3.8899 3.8899 4.3631 4.3631 4.3638 4.3638 5.0249 5.0249 5.0290 5.0290 11.8078 11.8078 11.8126 11.8126 12.2721 12.2721 12.2781 12.2781 12.9010 12.9011 k = 0.5000-0.1443 0.5103 ( 4538 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3177 -11.3177 -11.3176 -11.3176 -10.6497 -10.6497 -10.6490 -10.6490 -5.2361 -5.2361 -5.1830 -5.1830 -4.4875 -4.4875 -4.2891 -4.2891 -3.9408 -3.9408 -3.7892 -3.7892 0.7496 0.7496 0.7498 0.7498 2.4578 2.4578 2.4621 2.4621 3.3426 3.3426 3.3460 3.3460 3.8963 3.8963 3.9022 3.9022 4.3689 4.3689 4.3699 4.3699 5.0125 5.0125 5.0171 5.0171 11.8077 11.8077 11.8129 11.8129 12.2474 12.2474 12.2529 12.2529 12.9384 12.9384 k = 0.5000-0.1299 0.5205 ( 4544 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3182 -11.3182 -11.3181 -11.3181 -10.6491 -10.6491 -10.6484 -10.6484 -5.2369 -5.2369 -5.1794 -5.1794 -4.4953 -4.4953 -4.2799 -4.2799 -3.9505 -3.9505 -3.7858 -3.7858 0.7526 0.7526 0.7528 0.7528 2.4500 2.4500 2.4546 2.4546 3.3418 3.3418 3.3456 3.3456 3.9082 3.9082 3.9145 3.9145 4.3750 4.3750 4.3763 4.3763 4.9996 4.9996 5.0048 5.0048 11.8076 11.8076 11.8132 11.8132 12.2244 12.2244 12.2294 12.2294 12.9762 12.9762 k = 0.5000-0.1155 0.5307 ( 4550 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3187 -11.3187 -11.3186 -11.3186 -10.6485 -10.6485 -10.6478 -10.6478 -5.2375 -5.2375 -5.1760 -5.1760 -4.5024 -4.5024 -4.2710 -4.2710 -3.9599 -3.9599 -3.7827 -3.7827 0.7556 0.7556 0.7557 0.7557 2.4424 2.4424 2.4473 2.4473 3.3411 3.3411 3.3452 3.3452 3.9199 3.9199 3.9264 3.9264 4.3813 4.3813 4.3829 4.3829 4.9868 4.9868 4.9925 4.9925 11.8075 11.8075 11.8135 11.8135 12.2031 12.2031 12.2077 12.2077 13.0141 13.0141 k = 0.5000-0.1010 0.5409 ( 4538 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3192 -11.3192 -11.3191 -11.3191 -10.6480 -10.6480 -10.6472 -10.6472 -5.2380 -5.2380 -5.1728 -5.1728 -4.5089 -4.5089 -4.2626 -4.2626 -3.9688 -3.9688 -3.7801 -3.7801 0.7584 0.7584 0.7585 0.7585 2.4353 2.4353 2.4404 2.4404 3.3403 3.3403 3.3448 3.3448 3.9310 3.9310 3.9378 3.9378 4.3875 4.3875 4.3895 4.3895 4.9741 4.9741 4.9804 4.9804 11.8074 11.8074 11.8137 11.8137 12.1839 12.1839 12.1881 12.1881 13.0517 13.0517 k = 0.5000-0.0866 0.5511 ( 4538 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3196 -11.3196 -11.3195 -11.3195 -10.6475 -10.6475 -10.6467 -10.6467 -5.2384 -5.2384 -5.1698 -5.1698 -4.5147 -4.5147 -4.2549 -4.2549 -3.9772 -3.9772 -3.7779 -3.7779 0.7610 0.7610 0.7611 0.7611 2.4287 2.4287 2.4341 2.4341 3.3397 3.3397 3.3444 3.3444 3.9412 3.9412 3.9482 3.9482 4.3936 4.3936 4.3960 4.3960 4.9620 4.9620 4.9689 4.9689 11.8073 11.8073 11.8140 11.8140 12.1668 12.1668 12.1707 12.1707 13.0885 13.0885 k = 0.5000-0.0722 0.5613 ( 4538 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3199 -11.3199 -11.3198 -11.3198 -10.6470 -10.6470 -10.6462 -10.6462 -5.2387 -5.2387 -5.1673 -5.1673 -4.5198 -4.5198 -4.2479 -4.2479 -3.9847 -3.9847 -3.7760 -3.7760 0.7633 0.7633 0.7634 0.7634 2.4230 2.4230 2.4285 2.4285 3.3391 3.3391 3.3441 3.3441 3.9503 3.9503 3.9575 3.9575 4.3993 4.3993 4.4021 4.4021 4.9509 4.9509 4.9584 4.9584 11.8073 11.8073 11.8143 11.8143 12.1520 12.1520 12.1557 12.1557 13.1238 13.1238 k = 0.5000-0.0577 0.5715 ( 4536 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3203 -11.3203 -11.3202 -11.3202 -10.6466 -10.6466 -10.6458 -10.6458 -5.2389 -5.2389 -5.1651 -5.1651 -4.5240 -4.5240 -4.2418 -4.2418 -3.9913 -3.9913 -3.7744 -3.7744 0.7653 0.7653 0.7654 0.7654 2.4181 2.4181 2.4238 2.4238 3.3386 3.3386 3.3438 3.3438 3.9581 3.9581 3.9654 3.9654 4.4044 4.4044 4.4076 4.4076 4.9412 4.9412 4.9491 4.9491 11.8073 11.8073 11.8145 11.8145 12.1397 12.1397 12.1432 12.1432 13.1564 13.1564 k = 0.5000-0.0433 0.5818 ( 4538 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3205 -11.3205 -11.3204 -11.3204 -10.6463 -10.6463 -10.6455 -10.6455 -5.2390 -5.2390 -5.1633 -5.1633 -4.5273 -4.5273 -4.2368 -4.2368 -3.9967 -3.9967 -3.7733 -3.7733 0.7669 0.7669 0.7670 0.7670 2.4141 2.4141 2.4200 2.4200 3.3382 3.3382 3.3436 3.3436 3.9644 3.9644 3.9718 3.9718 4.4087 4.4087 4.4122 4.4122 4.9331 4.9331 4.9415 4.9415 11.8073 11.8073 11.8147 11.8147 12.1300 12.1300 12.1334 12.1334 13.1850 13.1850 k = 0.5000-0.0289 0.5920 ( 4534 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3207 -11.3207 -11.3206 -11.3206 -10.6461 -10.6461 -10.6452 -10.6452 -5.2392 -5.2392 -5.1620 -5.1620 -4.5297 -4.5297 -4.2331 -4.2331 -4.0007 -4.0007 -3.7724 -3.7724 0.7681 0.7681 0.7682 0.7682 2.4113 2.4113 2.4172 2.4172 3.3379 3.3379 3.3434 3.3434 3.9690 3.9690 3.9764 3.9764 4.4119 4.4119 4.4157 4.4157 4.9270 4.9270 4.9357 4.9357 11.8073 11.8073 11.8148 11.8148 12.1230 12.1230 12.1263 12.1263 13.2077 13.2077 k = 0.5000-0.0144 0.6022 ( 4534 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3208 -11.3208 -11.3207 -11.3207 -10.6459 -10.6459 -10.6451 -10.6451 -5.2392 -5.2392 -5.1613 -5.1613 -4.5312 -4.5312 -4.2308 -4.2308 -4.0032 -4.0032 -3.7719 -3.7719 0.7688 0.7688 0.7689 0.7689 2.4095 2.4095 2.4155 2.4155 3.3377 3.3377 3.3433 3.3433 3.9718 3.9718 3.9793 3.9793 4.4139 4.4139 4.4179 4.4179 4.9233 4.9233 4.9322 4.9322 11.8074 11.8074 11.8149 11.8149 12.1188 12.1188 12.1220 12.1220 13.2225 13.2225 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3209 -11.3209 -11.3208 -11.3208 -10.6459 -10.6459 -10.6450 -10.6450 -5.2392 -5.2392 -5.1610 -5.1610 -4.5317 -4.5317 -4.2300 -4.2300 -4.0041 -4.0041 -3.7718 -3.7718 0.7690 0.7690 0.7691 0.7691 2.4089 2.4089 2.4149 2.4149 3.3376 3.3376 3.3433 3.3433 3.9727 3.9727 3.9802 3.9802 4.4146 4.4146 4.4186 4.4186 4.9220 4.9220 4.9310 4.9310 11.8074 11.8074 11.8149 11.8149 12.1174 12.1174 12.1205 12.1205 13.2277 13.2277 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3209 -11.3209 -11.3208 -11.3208 -10.6459 -10.6459 -10.6450 -10.6450 -5.2392 -5.2392 -5.1610 -5.1610 -4.5317 -4.5317 -4.2300 -4.2300 -4.0041 -4.0041 -3.7718 -3.7718 0.7690 0.7690 0.7691 0.7691 2.4089 2.4089 2.4149 2.4149 3.3376 3.3376 3.3433 3.3433 3.9727 3.9727 3.9802 3.9802 4.4146 4.4146 4.4186 4.4186 4.9220 4.9220 4.9310 4.9310 11.8074 11.8074 11.8149 11.8149 12.1174 12.1174 12.1205 12.1205 13.2277 13.2277 k = 0.4917 0.0144 0.6124 ( 4540 PWs) bands (ev): -20.3479 -20.3479 -20.3428 -20.3428 -11.3321 -11.3321 -11.3094 -11.3094 -10.6459 -10.6459 -10.6450 -10.6450 -5.2395 -5.2395 -5.1608 -5.1608 -4.5316 -4.5316 -4.2302 -4.2302 -4.0038 -4.0038 -3.7719 -3.7719 0.7406 0.7406 0.7974 0.7974 2.4081 2.4081 2.4157 2.4157 3.3230 3.3230 3.3582 3.3582 3.9639 3.9639 3.9886 3.9886 4.4140 4.4140 4.4184 4.4184 4.9063 4.9063 4.9482 4.9482 11.7997 11.7997 11.8235 11.8235 12.1142 12.1142 12.1234 12.1234 13.2137 13.2137 k = 0.4833 0.0289 0.6124 ( 4526 PWs) bands (ev): -20.3502 -20.3502 -20.3405 -20.3405 -11.3428 -11.3428 -11.2985 -11.2985 -10.6460 -10.6460 -10.6450 -10.6450 -5.2403 -5.2403 -5.1601 -5.1601 -4.5315 -4.5315 -4.2307 -4.2307 -4.0031 -4.0031 -3.7721 -3.7721 0.7133 0.7133 0.8242 0.8242 2.4064 2.4064 2.4173 2.4173 3.3060 3.3060 3.3763 3.3763 3.9510 3.9510 4.0002 4.0002 4.4126 4.4126 4.4176 4.4176 4.8867 4.8867 4.9719 4.9719 11.7881 11.7881 11.8381 11.8381 12.1097 12.1097 12.1267 12.1267 13.1819 13.1819 k = 0.4750 0.0433 0.6124 ( 4528 PWs) bands (ev): -20.3524 -20.3524 -20.3383 -20.3383 -11.3527 -11.3527 -11.2882 -11.2882 -10.6460 -10.6460 -10.6451 -10.6451 -5.2416 -5.2416 -5.1591 -5.1591 -4.5314 -4.5314 -4.2314 -4.2314 -4.0019 -4.0019 -3.7726 -3.7726 0.6875 0.6875 0.8493 0.8493 2.4046 2.4046 2.4191 2.4191 3.2892 3.2892 3.3951 3.3951 3.9368 3.9368 4.0121 4.0121 4.4071 4.4071 4.4201 4.4201 4.8667 4.8667 4.9975 4.9975 11.7757 11.7757 11.8559 11.8559 12.1054 12.1054 12.1294 12.1294 13.1399 13.1399 k = 0.4667 0.0577 0.6124 ( 4532 PWs) bands (ev): -20.3545 -20.3545 -20.3362 -20.3362 -11.3619 -11.3619 -11.2785 -11.2785 -10.6461 -10.6461 -10.6451 -10.6451 -5.2431 -5.2431 -5.1578 -5.1578 -4.5312 -4.5312 -4.2323 -4.2323 -4.0004 -4.0004 -3.7732 -3.7732 0.6633 0.6633 0.8727 0.8727 2.4028 2.4028 2.4208 2.4208 3.2728 3.2728 3.4143 3.4143 3.9217 3.9217 4.0242 4.0242 4.3989 4.3989 4.4250 4.4250 4.8466 4.8466 5.0239 5.0239 11.7630 11.7630 11.8764 11.8764 12.1018 12.1018 12.1313 12.1313 13.0906 13.0906 k = 0.4583 0.0722 0.6124 ( 4541 PWs) bands (ev): -20.3564 -20.3564 -20.3343 -20.3343 -11.3704 -11.3704 -11.2695 -11.2695 -10.6463 -10.6463 -10.6451 -10.6451 -5.2449 -5.2449 -5.1564 -5.1564 -4.5309 -4.5309 -4.2333 -4.2333 -3.9987 -3.9987 -3.7739 -3.7739 0.6408 0.6408 0.8943 0.8943 2.4013 2.4013 2.4225 2.4225 3.2570 3.2570 3.4337 3.4337 3.9058 3.9058 4.0363 4.0363 4.3889 4.3889 4.4317 4.4317 4.8265 4.8265 5.0505 5.0505 11.7503 11.7503 11.8990 11.8990 12.0995 12.0995 12.1326 12.1326 13.0361 13.0361 k = 0.4500 0.0866 0.6124 ( 4545 PWs) bands (ev): -20.3581 -20.3581 -20.3326 -20.3326 -11.3781 -11.3781 -11.2612 -11.2612 -10.6465 -10.6465 -10.6451 -10.6451 -5.2469 -5.2469 -5.1548 -5.1548 -4.5307 -4.5307 -4.2343 -4.2343 -3.9969 -3.9969 -3.7747 -3.7747 0.6200 0.6200 0.9140 0.9140 2.4001 2.4001 2.4241 2.4241 3.2420 3.2420 3.4532 3.4532 3.8893 3.8893 4.0484 4.0484 4.3778 4.3778 4.4400 4.4400 4.8066 4.8066 5.0763 5.0763 11.7378 11.7378 11.9229 11.9229 12.0994 12.0994 12.1334 12.1334 12.9782 12.9782 k = 0.4417 0.1010 0.6124 ( 4529 PWs) bands (ev): -20.3597 -20.3597 -20.3310 -20.3310 -11.3851 -11.3851 -11.2536 -11.2536 -10.6467 -10.6467 -10.6451 -10.6451 -5.2488 -5.2488 -5.1533 -5.1533 -4.5304 -4.5304 -4.2354 -4.2354 -3.9950 -3.9950 -3.7755 -3.7755 0.6012 0.6012 0.9318 0.9318 2.3991 2.3991 2.4255 2.4255 3.2280 3.2280 3.4726 3.4726 3.8725 3.8725 4.0604 4.0604 4.3661 4.3661 4.4495 4.4495 4.7870 4.7870 5.1009 5.1009 11.7259 11.7259 11.9466 11.9466 12.1028 12.1028 12.1337 12.1337 12.9182 12.9182 k = 0.4333 0.1155 0.6124 ( 4531 PWs) bands (ev): -20.3611 -20.3611 -20.3296 -20.3296 -11.3913 -11.3913 -11.2468 -11.2468 -10.6469 -10.6469 -10.6451 -10.6451 -5.2507 -5.2507 -5.1518 -5.1518 -4.5301 -4.5301 -4.2365 -4.2365 -3.9931 -3.9931 -3.7763 -3.7763 0.5844 0.5844 0.9476 0.9476 2.3984 2.3984 2.4268 2.4268 3.2151 3.2151 3.4918 3.4918 3.8556 3.8556 4.0720 4.0720 4.3541 4.3541 4.4599 4.4599 4.7678 4.7678 5.1237 5.1237 11.7148 11.7148 11.9680 11.9680 12.1116 12.1116 12.1339 12.1339 12.8573 12.8573 k = 0.4250 0.1299 0.6124 ( 4543 PWs) bands (ev): -20.3623 -20.3623 -20.3284 -20.3284 -11.3966 -11.3966 -11.2408 -11.2408 -10.6471 -10.6471 -10.6451 -10.6451 -5.2525 -5.2525 -5.1504 -5.1504 -4.5298 -4.5298 -4.2375 -4.2375 -3.9913 -3.9913 -3.7771 -3.7771 0.5696 0.5696 0.9613 0.9613 2.3979 2.3979 2.4279 2.4279 3.2034 3.2034 3.5104 3.5104 3.8389 3.8389 4.0832 4.0832 4.3423 4.3423 4.4711 4.4711 4.7492 4.7492 5.1444 5.1444 11.7046 11.7046 11.9848 11.9848 12.1269 12.1269 12.1349 12.1349 12.7965 12.7965 k = 0.4167 0.1443 0.6124 ( 4542 PWs) bands (ev): -20.3633 -20.3633 -20.3274 -20.3274 -11.4012 -11.4012 -11.2357 -11.2357 -10.6473 -10.6473 -10.6451 -10.6451 -5.2541 -5.2541 -5.1492 -5.1492 -4.5295 -4.5295 -4.2383 -4.2383 -3.9896 -3.9896 -3.7778 -3.7778 0.5570 0.5570 0.9730 0.9730 2.3976 2.3976 2.4289 2.4289 3.1933 3.1933 3.5281 3.5281 3.8228 3.8228 4.0937 4.0937 4.3310 4.3310 4.4824 4.4824 4.7317 4.7317 5.1624 5.1624 11.6957 11.6957 11.9961 11.9961 12.1323 12.1323 12.1537 12.1537 12.7366 12.7366 k = 0.4083 0.1588 0.6124 ( 4532 PWs) bands (ev): -20.3642 -20.3642 -20.3265 -20.3265 -11.4049 -11.4049 -11.2315 -11.2315 -10.6474 -10.6474 -10.6451 -10.6451 -5.2555 -5.2555 -5.1482 -5.1482 -4.5293 -4.5293 -4.2391 -4.2391 -3.9882 -3.9882 -3.7785 -3.7785 0.5466 0.5466 0.9826 0.9826 2.3975 2.3975 2.4297 2.4297 3.1848 3.1848 3.5445 3.5445 3.8077 3.8077 4.1032 4.1032 4.3206 4.3206 4.4936 4.4936 4.7156 4.7156 5.1775 5.1775 11.6881 11.6881 12.0027 12.0027 12.1323 12.1323 12.1846 12.1846 12.6787 12.6787 k = 0.4000 0.1732 0.6124 ( 4532 PWs) bands (ev): -20.3648 -20.3648 -20.3259 -20.3259 -11.4078 -11.4078 -11.2282 -11.2282 -10.6476 -10.6476 -10.6451 -10.6451 -5.2566 -5.2566 -5.1473 -5.1473 -4.5291 -4.5291 -4.2397 -4.2397 -3.9870 -3.9870 -3.7790 -3.7790 0.5385 0.5385 0.9901 0.9901 2.3974 2.3974 2.4303 2.4303 3.1780 3.1780 3.5588 3.5588 3.7943 3.7943 4.1113 4.1113 4.3118 4.3118 4.5039 4.5039 4.7015 4.7015 5.1896 5.1896 11.6820 11.6820 12.0062 12.0062 12.1320 12.1320 12.2193 12.2193 12.6246 12.6246 k = 0.3917 0.1876 0.6124 ( 4532 PWs) bands (ev): -20.3653 -20.3653 -20.3254 -20.3254 -11.4099 -11.4099 -11.2258 -11.2258 -10.6477 -10.6477 -10.6451 -10.6451 -5.2574 -5.2574 -5.1467 -5.1467 -4.5290 -4.5290 -4.2401 -4.2401 -3.9862 -3.9862 -3.7794 -3.7794 0.5326 0.5326 0.9955 0.9955 2.3975 2.3975 2.4307 2.4307 3.1731 3.1731 3.5702 3.5702 3.7836 3.7836 4.1176 4.1176 4.3049 4.3049 4.5125 4.5125 4.6902 4.6902 5.1983 5.1983 11.6776 11.6776 12.0079 12.0079 12.1317 12.1317 12.2536 12.2536 12.5770 12.5770 k = 0.3833 0.2021 0.6124 ( 4530 PWs) bands (ev): -20.3656 -20.3656 -20.3251 -20.3251 -11.4112 -11.4112 -11.2244 -11.2244 -10.6477 -10.6477 -10.6451 -10.6451 -5.2579 -5.2579 -5.1463 -5.1463 -4.5289 -4.5289 -4.2404 -4.2404 -3.9856 -3.9856 -3.7797 -3.7797 0.5291 0.5291 0.9987 0.9987 2.3975 2.3975 2.4310 2.4310 3.1701 3.1701 3.5777 3.5777 3.7765 3.7765 4.1217 4.1217 4.3005 4.3005 4.5183 4.5183 4.6828 4.6828 5.2036 5.2036 11.6749 11.6749 12.0087 12.0087 12.1316 12.1316 12.2813 12.2813 12.5417 12.5417 k = 0.3750 0.2165 0.6124 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6478 -10.6478 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2053 5.2053 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.3750 0.2165 0.6124 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6478 -10.6478 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2053 5.2053 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.3663 0.2115 0.5981 ( 4534 PWs) bands (ev): -20.3685 -20.3685 -20.3223 -20.3223 -11.4239 -11.4239 -11.2114 -11.2114 -10.6471 -10.6471 -10.6444 -10.6444 -5.2616 -5.2616 -5.1393 -5.1393 -4.5368 -4.5368 -4.2306 -4.2306 -3.9950 -3.9950 -3.7786 -3.7786 0.4991 0.4991 1.0345 1.0345 2.3829 2.3829 2.4239 2.4239 3.1566 3.1566 3.6045 3.6045 3.7675 3.7675 4.1564 4.1564 4.2957 4.2957 4.5446 4.5446 4.6318 4.6318 5.2190 5.2190 11.6741 11.6741 12.0081 12.0081 12.1072 12.1072 12.2935 12.2935 12.5214 12.5214 k = 0.3576 0.2064 0.5839 ( 4528 PWs) bands (ev): -20.3714 -20.3714 -20.3194 -20.3194 -11.4366 -11.4366 -11.1981 -11.1981 -10.6464 -10.6464 -10.6439 -10.6439 -5.2653 -5.2653 -5.1323 -5.1323 -4.5443 -4.5443 -4.2212 -4.2212 -4.0039 -4.0039 -3.7779 -3.7779 0.4686 0.4686 1.0703 1.0703 2.3678 2.3678 2.4166 2.4166 3.1455 3.1455 3.6283 3.6283 3.7605 3.7605 4.1906 4.1906 4.2927 4.2927 4.5694 4.5694 4.5832 4.5832 5.2328 5.2328 11.6769 11.6769 12.0011 12.0011 12.0815 12.0815 12.3045 12.3045 12.5113 12.5113 k = 0.3488 0.2014 0.5696 ( 4528 PWs) bands (ev): -20.3744 -20.3744 -20.3163 -20.3163 -11.4496 -11.4496 -11.1843 -11.1843 -10.6457 -10.6457 -10.6433 -10.6433 -5.2691 -5.2691 -5.1253 -5.1253 -4.5515 -4.5515 -4.2125 -4.2125 -4.0120 -4.0120 -3.7777 -3.7777 0.4365 0.4365 1.1071 1.1071 2.3523 2.3523 2.4092 2.4092 3.1361 3.1361 3.6517 3.6517 3.7531 3.7531 4.2256 4.2256 4.2899 4.2899 4.5326 4.5326 4.5969 4.5969 5.2468 5.2468 11.6819 11.6819 11.9900 11.9900 12.0549 12.0549 12.3233 12.3233 12.4973 12.4973 k = 0.3401 0.1964 0.5554 ( 4528 PWs) bands (ev): -20.3776 -20.3776 -20.3132 -20.3132 -11.4630 -11.4630 -11.1698 -11.1698 -10.6450 -10.6450 -10.6429 -10.6429 -5.2730 -5.2730 -5.1184 -5.1184 -4.5581 -4.5581 -4.2049 -4.2049 -4.0191 -4.0191 -3.7780 -3.7780 0.4030 0.4030 1.1446 1.1446 2.3363 2.3363 2.4016 2.4016 3.1288 3.1288 3.6741 3.6741 3.7453 3.7453 4.2613 4.2613 4.2873 4.2873 4.4832 4.4832 4.6242 4.6242 5.2608 5.2608 11.6881 11.6881 11.9773 11.9773 12.0280 12.0280 12.3476 12.3476 12.4796 12.4796 k = 0.3314 0.1913 0.5412 ( 4528 PWs) bands (ev): -20.3809 -20.3809 -20.3099 -20.3099 -11.4767 -11.4767 -11.1547 -11.1547 -10.6443 -10.6443 -10.6424 -10.6424 -5.2770 -5.2770 -5.1114 -5.1114 -4.5644 -4.5644 -4.1985 -4.1985 -4.0248 -4.0248 -3.7787 -3.7787 0.3681 0.3681 1.1825 1.1825 2.3200 2.3200 2.3935 2.3935 3.1236 3.1236 3.6952 3.6952 3.7375 3.7375 4.2846 4.2846 4.2979 4.2979 4.4343 4.4343 4.6526 4.6526 5.2749 5.2749 11.6937 11.6937 11.9649 11.9649 12.0024 12.0024 12.3758 12.3758 12.4581 12.4581 k = 0.3227 0.1863 0.5269 ( 4528 PWs) bands (ev): -20.3843 -20.3843 -20.3065 -20.3065 -11.4905 -11.4905 -11.1391 -11.1391 -10.6436 -10.6436 -10.6420 -10.6420 -5.2811 -5.2811 -5.1046 -5.1046 -4.5701 -4.5701 -4.1939 -4.1939 -4.0289 -4.0289 -3.7799 -3.7799 0.3319 0.3319 1.2205 1.2205 2.3034 2.3034 2.3851 2.3851 3.1210 3.1210 3.7125 3.7125 3.7316 3.7316 4.2823 4.2823 4.3349 4.3349 4.3866 4.3866 4.6817 4.6817 5.2889 5.2889 11.6958 11.6958 11.9542 11.9542 11.9809 11.9809 12.4062 12.4062 12.4336 12.4336 k = 0.3140 0.1813 0.5127 ( 4526 PWs) bands (ev): -20.3878 -20.3878 -20.3030 -20.3030 -11.5045 -11.5045 -11.1229 -11.1229 -10.6431 -10.6431 -10.6415 -10.6415 -5.2852 -5.2852 -5.0978 -5.0978 -4.5752 -4.5752 -4.1913 -4.1913 -4.0310 -4.0310 -3.7815 -3.7815 0.2946 0.2946 1.2584 1.2584 2.2866 2.2866 2.3761 2.3761 3.1210 3.1210 3.7138 3.7138 3.7395 3.7395 4.2799 4.2799 4.3407 4.3407 4.3726 4.3726 4.7116 4.7116 5.3028 5.3028 11.6901 11.6901 11.9461 11.9461 11.9675 11.9675 12.4056 12.4056 12.4392 12.4392 k = 0.3052 0.1762 0.4984 ( 4540 PWs) bands (ev): -20.3914 -20.3914 -20.2995 -20.2995 -11.5187 -11.5187 -11.1063 -11.1063 -10.6426 -10.6426 -10.6410 -10.6410 -5.2893 -5.2893 -5.0912 -5.0912 -4.5799 -4.5799 -4.1909 -4.1909 -4.0310 -4.0310 -3.7836 -3.7836 0.2562 0.2562 1.2960 1.2960 2.2697 2.2697 2.3664 2.3664 3.1241 3.1241 3.7052 3.7052 3.7547 3.7547 4.2752 4.2752 4.2994 4.2994 4.4109 4.4109 4.7422 4.7422 5.3166 5.3166 11.6723 11.6723 11.9409 11.9409 11.9666 11.9666 12.3764 12.3764 12.4726 12.4726 k = 0.2965 0.1712 0.4842 ( 4530 PWs) bands (ev): -20.3950 -20.3950 -20.2959 -20.2959 -11.5329 -11.5329 -11.0893 -11.0893 -10.6423 -10.6423 -10.6405 -10.6405 -5.2935 -5.2935 -5.0846 -5.0846 -4.5839 -4.5839 -4.1927 -4.1927 -4.0289 -4.0289 -3.7861 -3.7861 0.2170 0.2170 1.3329 1.3329 2.2527 2.2527 2.3560 2.3560 3.1303 3.1303 3.6948 3.6948 3.7685 3.7685 4.2501 4.2501 4.2817 4.2817 4.4498 4.4498 4.7734 4.7734 5.3302 5.3302 11.6409 11.6409 11.9392 11.9392 11.9795 11.9795 12.3456 12.3456 12.5070 12.5070 k = 0.2878 0.1662 0.4700 ( 4532 PWs) bands (ev): -20.3987 -20.3987 -20.2922 -20.2922 -11.5472 -11.5472 -11.0718 -11.0718 -10.6420 -10.6420 -10.6398 -10.6398 -5.2976 -5.2976 -5.0781 -5.0781 -4.5874 -4.5874 -4.1966 -4.1966 -4.0249 -4.0249 -3.7891 -3.7891 0.1770 0.1770 1.3689 1.3689 2.2357 2.2357 2.3448 2.3448 3.1400 3.1400 3.6836 3.6836 3.7791 3.7791 4.2141 4.2141 4.2789 4.2789 4.4892 4.4892 4.8052 4.8052 5.3436 5.3436 11.5971 11.5971 11.9410 11.9410 12.0049 12.0049 12.3142 12.3142 12.5421 12.5421 k = 0.2791 0.1611 0.4557 ( 4532 PWs) bands (ev): -20.4025 -20.4025 -20.2884 -20.2884 -11.5614 -11.5614 -11.0540 -11.0540 -10.6418 -10.6418 -10.6392 -10.6392 -5.3017 -5.3017 -5.0716 -5.0716 -4.5903 -4.5903 -4.2022 -4.2022 -4.0195 -4.0195 -3.7925 -3.7925 0.1363 0.1363 1.4038 1.4038 2.2187 2.2187 2.3327 2.3327 3.1532 3.1532 3.6717 3.6717 3.7857 3.7857 4.1816 4.1816 4.2776 4.2776 4.5291 4.5291 4.8373 4.8373 5.3568 5.3568 11.5434 11.5434 11.9465 11.9465 12.0402 12.0402 12.2828 12.2828 12.5778 12.5778 k = 0.2703 0.1561 0.4415 ( 4530 PWs) bands (ev): -20.4063 -20.4063 -20.2847 -20.2847 -11.5756 -11.5756 -11.0360 -11.0360 -10.6417 -10.6417 -10.6386 -10.6386 -5.3057 -5.3057 -5.0653 -5.0653 -4.5927 -4.5927 -4.2094 -4.2094 -4.0129 -4.0129 -3.7964 -3.7964 0.0951 0.0951 1.4375 1.4375 2.2018 2.2018 2.3197 2.3197 3.1700 3.1700 3.6591 3.6591 3.7871 3.7871 4.1545 4.1545 4.2768 4.2768 4.5696 4.5696 4.8699 4.8699 5.3697 5.3697 11.4819 11.4819 11.9556 11.9556 12.0834 12.0834 12.2519 12.2519 12.6141 12.6141 k = 0.2616 0.1511 0.4272 ( 4530 PWs) bands (ev): -20.4101 -20.4101 -20.2809 -20.2809 -11.5898 -11.5898 -11.0177 -11.0177 -10.6415 -10.6415 -10.6379 -10.6379 -5.3097 -5.3097 -5.0589 -5.0589 -4.5944 -4.5944 -4.2176 -4.2176 -4.0057 -4.0057 -3.8007 -3.8007 0.0536 0.0536 1.4696 1.4696 2.1851 2.1851 2.3058 2.3058 3.1907 3.1907 3.6460 3.6460 3.7828 3.7828 4.1339 4.1339 4.2763 4.2763 4.6104 4.6104 4.9027 4.9027 5.3823 5.3823 11.4141 11.4141 11.9681 11.9681 12.1330 12.1330 12.2222 12.2222 12.6512 12.6512 k = 0.2529 0.1460 0.4130 ( 4544 PWs) bands (ev): -20.4140 -20.4140 -20.2770 -20.2770 -11.6038 -11.6038 -10.9992 -10.9992 -10.6414 -10.6414 -10.6373 -10.6373 -5.3136 -5.3136 -5.0525 -5.0525 -4.5955 -4.5955 -4.2268 -4.2268 -3.9980 -3.9980 -3.8053 -3.8053 0.0117 0.0117 1.5003 1.5003 2.1685 2.1685 2.2910 2.2910 3.2150 3.2150 3.6322 3.6322 3.7725 3.7725 4.1201 4.1201 4.2761 4.2761 4.6518 4.6518 4.9358 4.9358 5.3947 5.3947 11.3409 11.3409 11.9836 11.9836 12.1859 12.1859 12.1960 12.1960 12.6892 12.6892 k = 0.2442 0.1410 0.3988 ( 4546 PWs) bands (ev): -20.4179 -20.4179 -20.2732 -20.2732 -11.6176 -11.6176 -10.9805 -10.9805 -10.6412 -10.6412 -10.6367 -10.6367 -5.3173 -5.3173 -5.0461 -5.0461 -4.5961 -4.5961 -4.2367 -4.2367 -3.9902 -3.9902 -3.8104 -3.8104 -0.0303 -0.0303 1.5293 1.5293 2.1522 2.1522 2.2754 2.2754 3.2431 3.2431 3.6180 3.6180 3.7566 3.7566 4.1127 4.1127 4.2762 4.2762 4.6934 4.6934 4.9689 4.9689 5.4067 5.4067 11.2633 11.2633 12.0018 12.0018 12.1668 12.1668 12.2485 12.2485 12.7283 12.7283 k = 0.2355 0.1359 0.3845 ( 4538 PWs) bands (ev): -20.4217 -20.4217 -20.2694 -20.2694 -11.6313 -11.6313 -10.9618 -10.9618 -10.6411 -10.6411 -10.6361 -10.6361 -5.3209 -5.3209 -5.0397 -5.0397 -4.5961 -4.5961 -4.2471 -4.2471 -3.9826 -3.9826 -3.8159 -3.8159 -0.0723 -0.0723 1.5567 1.5567 2.1361 2.1361 2.2589 2.2589 3.2748 3.2748 3.6032 3.6032 3.7361 3.7361 4.1109 4.1109 4.2764 4.2764 4.7355 4.7355 5.0022 5.0022 5.4184 5.4184 11.1818 11.1818 12.0222 12.0222 12.1424 12.1424 12.3124 12.3124 12.7690 12.7690 k = 0.2267 0.1309 0.3703 ( 4551 PWs) bands (ev): -20.4256 -20.4256 -20.2656 -20.2656 -11.6447 -11.6447 -10.9430 -10.9430 -10.6409 -10.6409 -10.6356 -10.6356 -5.3244 -5.3244 -5.0331 -5.0331 -4.5955 -4.5955 -4.2579 -4.2579 -3.9752 -3.9752 -3.8216 -3.8216 -0.1142 -0.1142 1.5824 1.5824 2.1204 2.1204 2.2417 2.2417 3.3099 3.3099 3.5880 3.5880 3.7122 3.7122 4.1133 4.1133 4.2769 4.2769 4.7778 4.7778 5.0353 5.0353 5.4298 5.4298 11.0970 11.0970 12.0442 12.0442 12.1204 12.1204 12.3800 12.3800 12.8114 12.8114 k = 0.2180 0.1259 0.3560 ( 4551 PWs) bands (ev): -20.4294 -20.4294 -20.2618 -20.2618 -11.6579 -11.6579 -10.9243 -10.9243 -10.6407 -10.6407 -10.6351 -10.6351 -5.3277 -5.3277 -5.0265 -5.0265 -4.5945 -4.5945 -4.2690 -4.2690 -3.9682 -3.9682 -3.8278 -3.8278 -0.1558 -0.1558 1.6066 1.6066 2.1050 2.1050 2.2239 2.2239 3.3483 3.3483 3.5723 3.5723 3.6863 3.6863 4.1188 4.1188 4.2775 4.2775 4.8203 4.8203 5.0684 5.0684 5.4408 5.4408 11.0095 11.0095 12.0667 12.0667 12.1013 12.1013 12.4503 12.4503 12.8559 12.8559 k = 0.2093 0.1208 0.3418 ( 4539 PWs) bands (ev): -20.4332 -20.4332 -20.2581 -20.2581 -11.6709 -11.6709 -10.9057 -10.9057 -10.6404 -10.6404 -10.6346 -10.6346 -5.3308 -5.3308 -5.0197 -5.0197 -4.5929 -4.5929 -4.2804 -4.2804 -3.9618 -3.9618 -3.8342 -3.8342 -0.1972 -0.1972 1.6292 1.6292 2.0900 2.0900 2.2056 2.2056 3.3896 3.3896 3.5564 3.5564 3.6592 3.6592 4.1265 4.1265 4.2783 4.2783 4.8630 4.8630 5.1012 5.1012 5.4514 5.4514 10.9199 10.9199 12.0791 12.0791 12.0953 12.0953 12.5224 12.5224 12.9029 12.9029 k = 0.2006 0.1158 0.3275 ( 4555 PWs) bands (ev): -20.4369 -20.4369 -20.2544 -20.2544 -11.6835 -11.6835 -10.8872 -10.8872 -10.6402 -10.6402 -10.6341 -10.6341 -5.3337 -5.3337 -5.0127 -5.0127 -4.5909 -4.5909 -4.2920 -4.2920 -3.9561 -3.9561 -3.8409 -3.8409 -0.2380 -0.2380 1.6505 1.6505 2.0754 2.0754 2.1869 2.1869 3.4335 3.4335 3.5401 3.5401 3.6316 3.6316 4.1355 4.1355 4.2792 4.2792 4.9058 4.9058 5.1337 5.1337 5.4617 5.4617 10.8285 10.8285 12.0669 12.0669 12.1162 12.1162 12.5944 12.5944 12.9526 12.9526 k = 0.1919 0.1108 0.3133 ( 4547 PWs) bands (ev): -20.4406 -20.4406 -20.2508 -20.2508 -11.6958 -11.6958 -10.8689 -10.8689 -10.6398 -10.6398 -10.6337 -10.6337 -5.3364 -5.3364 -5.0055 -5.0055 -4.5884 -4.5884 -4.3038 -4.3038 -3.9511 -3.9511 -3.8478 -3.8478 -0.2782 -0.2782 1.6706 1.6706 2.0612 2.0612 2.1679 2.1679 3.4797 3.4797 3.5236 3.5236 3.6041 3.6041 4.1455 4.1455 4.2803 4.2803 4.9485 4.9485 5.1658 5.1658 5.4716 5.4716 10.7360 10.7360 12.0553 12.0553 12.1383 12.1383 12.6629 12.6629 13.0050 13.0050 k = 0.1831 0.1057 0.2991 ( 4551 PWs) bands (ev): -20.4442 -20.4442 -20.2472 -20.2472 -11.7077 -11.7077 -10.8509 -10.8509 -10.6395 -10.6395 -10.6333 -10.6333 -5.3389 -5.3389 -4.9980 -4.9980 -4.5855 -4.5855 -4.3157 -4.3157 -3.9468 -3.9468 -3.8549 -3.8549 -0.3177 -0.3177 1.6895 1.6895 2.0475 2.0475 2.1487 2.1487 3.5066 3.5066 3.5282 3.5282 3.5771 3.5771 4.1559 4.1559 4.2815 4.2815 4.9912 4.9912 5.1974 5.1974 5.4812 5.4812 10.6429 10.6429 12.0460 12.0460 12.1592 12.1592 12.7209 12.7209 13.0588 13.0588 k = 0.1744 0.1007 0.2848 ( 4559 PWs) bands (ev): -20.4477 -20.4477 -20.2438 -20.2438 -11.7192 -11.7192 -10.8332 -10.8332 -10.6391 -10.6391 -10.6329 -10.6329 -5.3412 -5.3412 -4.9904 -4.9904 -4.5822 -4.5822 -4.3277 -4.3277 -3.9433 -3.9433 -3.8622 -3.8622 -0.3563 -0.3563 1.7073 1.7073 2.0343 2.0343 2.1296 2.1296 3.4901 3.4901 3.5506 3.5506 3.5777 3.5777 4.1665 4.1665 4.2828 4.2828 5.0337 5.0337 5.2284 5.2284 5.4903 5.4903 10.5495 10.5495 12.0392 12.0392 12.1782 12.1782 12.7563 12.7563 13.0945 13.0945 k = 0.1657 0.0957 0.2706 ( 4573 PWs) bands (ev): -20.4511 -20.4511 -20.2404 -20.2404 -11.7304 -11.7304 -10.8158 -10.8158 -10.6387 -10.6387 -10.6326 -10.6326 -5.3432 -5.3432 -4.9825 -4.9825 -4.5786 -4.5786 -4.3397 -4.3397 -3.9406 -3.9406 -3.8696 -3.8696 -0.3940 -0.3940 1.7242 1.7242 2.0216 2.0216 2.1106 2.1106 3.4734 3.4734 3.5252 3.5252 3.6285 3.6285 4.1772 4.1772 4.2841 4.2841 5.0759 5.0759 5.2587 5.2587 5.4991 5.4991 10.4565 10.4565 12.0349 12.0349 12.1947 12.1947 12.7589 12.7589 13.1267 13.1267 k = 0.1570 0.0906 0.2563 ( 4561 PWs) bands (ev): -20.4544 -20.4544 -20.2372 -20.2372 -11.7411 -11.7411 -10.7990 -10.7990 -10.6382 -10.6382 -10.6323 -10.6323 -5.3451 -5.3451 -4.9743 -4.9743 -4.5747 -4.5747 -4.3519 -4.3519 -3.9387 -3.9387 -3.8771 -3.8771 -0.4305 -0.4305 1.7403 1.7403 2.0095 2.0095 2.0919 2.0919 3.4568 3.4568 3.5006 3.5006 3.6800 3.6800 4.1877 4.1877 4.2856 4.2856 5.1176 5.1176 5.2882 5.2882 5.5075 5.5075 10.3643 10.3643 12.0331 12.0331 12.2085 12.2085 12.7342 12.7342 13.1877 13.1877 k = 0.1483 0.0856 0.2421 ( 4563 PWs) bands (ev): -20.4576 -20.4576 -20.2340 -20.2340 -11.7514 -11.7514 -10.7826 -10.7826 -10.6378 -10.6378 -10.6320 -10.6320 -5.3467 -5.3467 -4.9659 -4.9659 -4.5706 -4.5706 -4.3640 -4.3640 -3.9375 -3.9375 -3.8845 -3.8845 -0.4659 -0.4659 1.7557 1.7557 1.9979 1.9979 2.0736 2.0736 3.4404 3.4404 3.4772 3.4772 3.7318 3.7318 4.1979 4.1979 4.2872 4.2872 5.1588 5.1588 5.3168 5.3168 5.5154 5.5154 10.2733 10.2733 12.0336 12.0336 12.2193 12.2193 12.6948 12.6948 13.2673 13.2673 k = 0.1395 0.0806 0.2279 ( 4559 PWs) bands (ev): -20.4607 -20.4607 -20.2310 -20.2310 -11.7611 -11.7611 -10.7668 -10.7668 -10.6373 -10.6373 -10.6317 -10.6317 -5.3481 -5.3481 -4.9572 -4.9572 -4.5663 -4.5663 -4.3761 -4.3761 -3.9370 -3.9370 -3.8920 -3.8920 -0.4999 -0.4999 1.7703 1.7703 1.9868 1.9868 2.0558 2.0558 3.4243 3.4243 3.4549 3.4549 3.7835 3.7835 4.2078 4.2078 4.2888 4.2888 5.1992 5.1992 5.3445 5.3445 5.5230 5.5230 10.1842 10.1842 12.0363 12.0363 12.2273 12.2273 12.6490 12.6490 13.3569 13.3569 k = 0.1308 0.0755 0.2136 ( 4559 PWs) bands (ev): -20.4636 -20.4636 -20.2281 -20.2281 -11.7704 -11.7704 -10.7516 -10.7516 -10.6368 -10.6368 -10.6315 -10.6315 -5.3493 -5.3493 -4.9484 -4.9484 -4.5618 -4.5618 -4.3882 -4.3882 -3.9373 -3.9373 -3.8993 -3.8993 -0.5326 -0.5326 1.7842 1.7842 1.9764 1.9764 2.0386 2.0386 3.4086 3.4086 3.4338 3.4338 3.8347 3.8347 4.2172 4.2172 4.2905 4.2905 5.2386 5.2386 5.3710 5.3710 5.5301 5.5301 10.0972 10.0972 12.0410 12.0410 12.2323 12.2323 12.6011 12.6011 13.4160 13.4160 k = 0.1221 0.0705 0.1994 ( 4549 PWs) bands (ev): -20.4664 -20.4664 -20.2254 -20.2254 -11.7792 -11.7792 -10.7371 -10.7371 -10.6362 -10.6362 -10.6313 -10.6313 -5.3503 -5.3503 -4.9393 -4.9393 -4.5572 -4.5572 -4.4003 -4.4003 -3.9381 -3.9381 -3.9065 -3.9065 -0.5636 -0.5636 1.7975 1.7975 1.9665 1.9665 2.0223 2.0223 3.3934 3.3934 3.4139 3.4139 3.8849 3.8849 4.2262 4.2262 4.2923 4.2923 5.2770 5.2770 5.3964 5.3964 5.5369 5.5369 10.0130 10.0130 12.0475 12.0475 12.2346 12.2346 12.5531 12.5531 13.4499 13.4499 k = 0.1134 0.0655 0.1851 ( 4543 PWs) bands (ev): -20.4691 -20.4691 -20.2228 -20.2228 -11.7875 -11.7875 -10.7233 -10.7233 -10.6357 -10.6357 -10.6311 -10.6311 -5.3511 -5.3511 -4.9302 -4.9302 -4.5526 -4.5526 -4.4122 -4.4122 -3.9395 -3.9395 -3.9135 -3.9135 -0.5931 -0.5931 1.8101 1.8101 1.9572 1.9572 2.0068 2.0068 3.3787 3.3787 3.3953 3.3953 3.9338 3.9338 4.2346 4.2346 4.2941 4.2941 5.3140 5.3140 5.4206 5.4206 5.5432 5.5432 9.9319 9.9319 12.0556 12.0556 12.2345 12.2345 12.5062 12.5062 13.4661 13.4661 k = 0.1047 0.0604 0.1709 ( 4557 PWs) bands (ev): -20.4715 -20.4715 -20.2203 -20.2203 -11.7952 -11.7952 -10.7103 -10.7103 -10.6352 -10.6352 -10.6309 -10.6309 -5.3517 -5.3517 -4.9209 -4.9209 -4.5480 -4.5480 -4.4239 -4.4239 -3.9413 -3.9413 -3.9203 -3.9203 -0.6208 -0.6208 1.8220 1.8220 1.9486 1.9486 1.9922 1.9922 3.3647 3.3647 3.3779 3.3779 3.9810 3.9810 4.2425 4.2425 4.2960 4.2960 5.3495 5.3495 5.4433 5.4433 5.5491 5.5491 9.8545 9.8545 12.0650 12.0650 12.2322 12.2322 12.4610 12.4610 13.4672 13.4672 k = 0.0959 0.0554 0.1567 ( 4553 PWs) bands (ev): -20.4739 -20.4739 -20.2181 -20.2181 -11.8023 -11.8023 -10.6982 -10.6982 -10.6347 -10.6347 -10.6307 -10.6307 -5.3522 -5.3522 -4.9116 -4.9116 -4.5435 -4.5435 -4.4355 -4.4355 -3.9435 -3.9435 -3.9267 -3.9267 -0.6466 -0.6466 1.8332 1.8332 1.9406 1.9406 1.9787 1.9787 3.3514 3.3514 3.3618 3.3618 4.0259 4.0259 4.2497 4.2497 4.2980 4.2980 5.3833 5.3833 5.4646 5.4646 5.5545 5.5545 9.7811 9.7811 12.0755 12.0755 12.2280 12.2280 12.4181 12.4181 13.4589 13.4589 k = 0.0872 0.0504 0.1424 ( 4555 PWs) bands (ev): -20.4760 -20.4760 -20.2160 -20.2160 -11.8089 -11.8089 -10.6869 -10.6869 -10.6342 -10.6342 -10.6305 -10.6305 -5.3526 -5.3526 -4.9024 -4.9024 -4.5391 -4.5391 -4.4467 -4.4467 -3.9459 -3.9459 -3.9328 -3.9328 -0.6705 -0.6705 1.8435 1.8435 1.9332 1.9332 1.9663 1.9663 3.3390 3.3390 3.3471 3.3471 4.0684 4.0684 4.2564 4.2564 4.3000 4.3000 5.4151 5.4151 5.4844 5.4844 5.5596 5.5596 9.7123 9.7123 12.0868 12.0868 12.2225 12.2225 12.3778 12.3778 13.4461 13.4461 k = 0.0785 0.0453 0.1282 ( 4573 PWs) bands (ev): -20.4779 -20.4779 -20.2141 -20.2141 -11.8149 -11.8149 -10.6766 -10.6766 -10.6338 -10.6338 -10.6304 -10.6304 -5.3529 -5.3529 -4.8934 -4.8934 -4.5349 -4.5349 -4.4575 -4.4575 -3.9486 -3.9486 -3.9385 -3.9385 -0.6924 -0.6924 1.8529 1.8529 1.9265 1.9265 1.9551 1.9551 3.3276 3.3276 3.3337 3.3337 4.1077 4.1077 4.2626 4.2626 4.3020 4.3020 5.4447 5.4447 5.5026 5.5026 5.5642 5.5642 9.6485 9.6485 12.0985 12.0985 12.2160 12.2160 12.3405 12.3405 13.4317 13.4317 k = 0.0698 0.0403 0.1139 ( 4567 PWs) bands (ev): -20.4797 -20.4797 -20.2123 -20.2123 -11.8203 -11.8203 -10.6672 -10.6672 -10.6334 -10.6334 -10.6302 -10.6302 -5.3531 -5.3531 -4.8846 -4.8846 -4.5309 -4.5309 -4.4678 -4.4678 -3.9512 -3.9512 -3.9437 -3.9437 -0.7123 -0.7123 1.8612 1.8612 1.9206 1.9206 1.9451 1.9451 3.3171 3.3171 3.3217 3.3217 4.1437 4.1437 4.2683 4.2683 4.3041 4.3041 5.4718 5.4718 5.5191 5.5191 5.5684 5.5684 9.5900 9.5900 12.1103 12.1103 12.2089 12.2089 12.3065 12.3065 13.4175 13.4175 k = 0.0610 0.0352 0.0997 ( 4569 PWs) bands (ev): -20.4813 -20.4813 -20.2108 -20.2108 -11.8251 -11.8251 -10.6589 -10.6589 -10.6330 -10.6330 -10.6301 -10.6301 -5.3532 -5.3532 -4.8763 -4.8763 -4.5272 -4.5272 -4.4775 -4.4775 -3.9539 -3.9539 -3.9484 -3.9484 -0.7299 -0.7299 1.8683 1.8683 1.9156 1.9156 1.9365 1.9365 3.3076 3.3076 3.3110 3.3110 4.1757 4.1757 4.2738 4.2738 4.3062 4.3062 5.4962 5.4962 5.5339 5.5339 5.5722 5.5722 9.5373 9.5373 12.1219 12.1219 12.2016 12.2016 12.2760 12.2760 13.4044 13.4044 k = 0.0523 0.0302 0.0854 ( 4569 PWs) bands (ev): -20.4826 -20.4826 -20.2095 -20.2095 -11.8292 -11.8292 -10.6516 -10.6516 -10.6327 -10.6327 -10.6299 -10.6299 -5.3532 -5.3532 -4.8685 -4.8685 -4.5239 -4.5239 -4.4864 -4.4864 -3.9564 -3.9564 -3.9526 -3.9526 -0.7454 -0.7454 1.8739 1.8739 1.9117 1.9117 1.9292 1.9292 3.2994 3.2994 3.3017 3.3017 4.2031 4.2031 4.2795 4.2795 4.3081 4.3081 5.5176 5.5176 5.5470 5.5470 5.5757 5.5757 9.4908 9.4908 12.1327 12.1327 12.1945 12.1945 12.2492 12.2492 13.3928 13.3928 k = 0.0436 0.0252 0.0712 ( 4573 PWs) bands (ev): -20.4838 -20.4838 -20.2083 -20.2083 -11.8328 -11.8328 -10.6454 -10.6454 -10.6323 -10.6323 -10.6298 -10.6298 -5.3532 -5.3532 -4.8616 -4.8616 -4.5211 -4.5211 -4.4943 -4.4943 -3.9587 -3.9587 -3.9562 -3.9562 -0.7585 -0.7585 1.8777 1.8777 1.9092 1.9092 1.9232 1.9232 3.2922 3.2922 3.2938 3.2938 4.2252 4.2252 4.2858 4.2858 4.3100 4.3100 5.5356 5.5356 5.5583 5.5583 5.5788 5.5788 9.4508 9.4508 12.1424 12.1424 12.1880 12.1880 12.2264 12.2264 13.3829 13.3829 k = 0.0349 0.0201 0.0570 ( 4571 PWs) bands (ev): -20.4848 -20.4848 -20.2074 -20.2074 -11.8357 -11.8357 -10.6405 -10.6405 -10.6320 -10.6320 -10.6296 -10.6296 -5.3532 -5.3532 -4.8555 -4.8555 -4.5186 -4.5186 -4.5011 -4.5011 -3.9607 -3.9607 -3.9592 -3.9592 -0.7694 -0.7694 1.8797 1.8797 1.9083 1.9083 1.9184 1.9184 3.2864 3.2864 3.2873 3.2873 4.2414 4.2414 4.2930 4.2930 4.3116 4.3116 5.5500 5.5500 5.5681 5.5681 5.5817 5.5817 9.4176 9.4176 12.1502 12.1502 12.1826 12.1826 12.2079 12.2079 13.3749 13.3749 k = 0.0262 0.0151 0.0427 ( 4583 PWs) bands (ev): -20.4855 -20.4855 -20.2066 -20.2066 -11.8379 -11.8379 -10.6368 -10.6368 -10.6315 -10.6315 -10.6295 -10.6295 -5.3532 -5.3532 -4.8506 -4.8506 -4.5167 -4.5167 -4.5067 -4.5067 -3.9624 -3.9624 -3.9615 -3.9615 -0.7779 -0.7779 1.8802 1.8802 1.9085 1.9085 1.9147 1.9147 3.2818 3.2818 3.2823 3.2823 4.2519 4.2519 4.3009 4.3009 4.3129 4.3129 5.5603 5.5603 5.5764 5.5764 5.5843 5.5843 9.3915 9.3915 12.1554 12.1554 12.1788 12.1788 12.1940 12.1940 13.3686 13.3686 k = 0.0174 0.0101 0.0285 ( 4583 PWs) bands (ev): -20.4861 -20.4861 -20.2061 -20.2061 -11.8396 -11.8396 -10.6346 -10.6346 -10.6306 -10.6306 -10.6294 -10.6294 -5.3532 -5.3532 -4.8469 -4.8469 -4.5153 -4.5153 -4.5108 -4.5108 -3.9636 -3.9636 -3.9632 -3.9632 -0.7839 -0.7839 1.8799 1.8799 1.9093 1.9093 1.9122 1.9122 3.2784 3.2784 3.2787 3.2787 4.2581 4.2581 4.3081 4.3081 4.3139 4.3139 5.5667 5.5667 5.5829 5.5829 5.5865 5.5865 9.3727 9.3727 12.1572 12.1572 12.1773 12.1773 12.1846 12.1846 13.3642 13.3642 k = 0.0087 0.0050 0.0142 ( 4573 PWs) bands (ev): -20.4864 -20.4864 -20.2058 -20.2058 -11.8405 -11.8405 -10.6338 -10.6338 -10.6297 -10.6297 -10.6294 -10.6294 -5.3531 -5.3531 -4.8446 -4.8446 -4.5144 -4.5144 -4.5133 -4.5133 -3.9643 -3.9643 -3.9642 -3.9642 -0.7876 -0.7876 1.8795 1.8795 1.9099 1.9099 1.9107 1.9107 3.2764 3.2764 3.2765 3.2765 4.2612 4.2612 4.3130 4.3130 4.3145 4.3145 5.5702 5.5702 5.5872 5.5872 5.5881 5.5881 9.3614 9.3614 12.1567 12.1567 12.1776 12.1776 12.1795 12.1795 13.3616 13.3624 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -20.4865 -20.4865 -20.2057 -20.2057 -11.8408 -11.8408 -10.6335 -10.6335 -10.6294 -10.6294 -10.6294 -10.6294 -5.3531 -5.3531 -4.8439 -4.8439 -4.5141 -4.5141 -4.5141 -4.5141 -3.9646 -3.9646 -3.9646 -3.9646 -0.7888 -0.7888 1.8793 1.8793 1.9102 1.9102 1.9102 1.9102 3.2758 3.2758 3.2758 3.2758 4.2622 4.2622 4.3147 4.3147 4.3147 4.3147 5.5712 5.5712 5.5886 5.5886 5.5886 5.5886 9.3576 9.3576 12.1562 12.1562 12.1779 12.1779 12.1779 12.1779 13.3607 13.3607 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -20.4865 -20.4865 -20.2057 -20.2057 -11.8408 -11.8408 -10.6335 -10.6335 -10.6294 -10.6294 -10.6294 -10.6294 -5.3531 -5.3531 -4.8439 -4.8439 -4.5141 -4.5141 -4.5141 -4.5141 -3.9646 -3.9646 -3.9646 -3.9646 -0.7888 -0.7888 1.8793 1.8793 1.9102 1.9102 1.9102 1.9102 3.2758 3.2758 3.2758 3.2758 4.2622 4.2622 4.3147 4.3147 4.3147 4.3147 5.5712 5.5712 5.5886 5.5886 5.5886 5.5886 9.3576 9.3576 12.1562 12.1562 12.1779 12.1779 12.1779 12.1779 13.3607 13.3607 k = 0.0143 0.0082 0.0058 ( 4573 PWs) bands (ev): -20.4864 -20.4864 -20.2058 -20.2058 -11.8405 -11.8405 -10.6338 -10.6338 -10.6297 -10.6297 -10.6294 -10.6294 -5.3531 -5.3531 -4.8446 -4.8446 -4.5145 -4.5145 -4.5132 -4.5132 -3.9643 -3.9643 -3.9642 -3.9642 -0.7876 -0.7876 1.8795 1.8795 1.9100 1.9100 1.9106 1.9106 3.2765 3.2765 3.2765 3.2765 4.2612 4.2612 4.3129 4.3129 4.3145 4.3145 5.5701 5.5701 5.5871 5.5871 5.5882 5.5882 9.3614 9.3614 12.1568 12.1568 12.1779 12.1779 12.1792 12.1792 13.3620 13.3620 k = 0.0286 0.0165 0.0117 ( 4579 PWs) bands (ev): -20.4861 -20.4861 -20.2061 -20.2061 -11.8395 -11.8395 -10.6347 -10.6347 -10.6307 -10.6307 -10.6294 -10.6294 -5.3532 -5.3532 -4.8469 -4.8469 -4.5154 -4.5154 -4.5106 -4.5106 -3.9636 -3.9636 -3.9632 -3.9632 -0.7839 -0.7839 1.8800 1.8800 1.9095 1.9095 1.9119 1.9119 3.2785 3.2785 3.2787 3.2787 4.2580 4.2580 4.3079 4.3079 4.3140 4.3140 5.5667 5.5667 5.5824 5.5824 5.5871 5.5871 9.3728 9.3728 12.1581 12.1581 12.1778 12.1778 12.1833 12.1833 13.3659 13.3659 k = 0.0429 0.0247 0.0175 ( 4582 PWs) bands (ev): -20.4855 -20.4855 -20.2067 -20.2067 -11.8379 -11.8379 -10.6369 -10.6369 -10.6314 -10.6314 -10.6295 -10.6295 -5.3532 -5.3532 -4.8506 -4.8506 -4.5171 -4.5171 -4.5063 -4.5063 -3.9624 -3.9624 -3.9615 -3.9615 -0.7778 -0.7778 1.8804 1.8804 1.9089 1.9089 1.9141 1.9141 3.2819 3.2819 3.2822 3.2822 4.2516 4.2516 4.3008 4.3008 4.3132 4.3132 5.5601 5.5601 5.5747 5.5747 5.5860 5.5860 9.3917 9.3917 12.1595 12.1595 12.1777 12.1777 12.1911 12.1911 13.3722 13.3723 k = 0.0571 0.0330 0.0233 ( 4573 PWs) bands (ev): -20.4848 -20.4848 -20.2074 -20.2074 -11.8356 -11.8356 -10.6407 -10.6407 -10.6319 -10.6319 -10.6296 -10.6296 -5.3532 -5.3532 -4.8555 -4.8555 -4.5193 -4.5193 -4.5004 -4.5004 -3.9608 -3.9608 -3.9591 -3.9591 -0.7693 -0.7693 1.8805 1.8805 1.9088 1.9088 1.9172 1.9172 3.2866 3.2866 3.2873 3.2873 4.2405 4.2405 4.2932 4.2932 4.3121 4.3121 5.5503 5.5503 5.5639 5.5639 5.5852 5.5852 9.4180 9.4180 12.1607 12.1607 12.1776 12.1776 12.2026 12.2026 13.3810 13.3810 k = 0.0714 0.0412 0.0292 ( 4567 PWs) bands (ev): -20.4838 -20.4838 -20.2083 -20.2083 -11.8327 -11.8327 -10.6457 -10.6457 -10.6322 -10.6322 -10.6297 -10.6297 -5.3532 -5.3532 -4.8615 -4.8615 -4.5222 -4.5222 -4.4932 -4.4932 -3.9588 -3.9588 -3.9561 -3.9561 -0.7584 -0.7584 1.8795 1.8795 1.9097 1.9097 1.9211 1.9211 3.2927 3.2927 3.2937 3.2937 4.2232 4.2232 4.2867 4.2867 4.3106 4.3106 5.5373 5.5373 5.5503 5.5503 5.5848 5.5848 9.4513 9.4513 12.1616 12.1616 12.1777 12.1777 12.2178 12.2178 13.3919 13.3920 k = 0.0857 0.0495 0.0350 ( 4567 PWs) bands (ev): -20.4826 -20.4826 -20.2095 -20.2095 -11.8292 -11.8292 -10.6520 -10.6520 -10.6324 -10.6324 -10.6298 -10.6298 -5.3532 -5.3532 -4.8685 -4.8685 -4.5256 -4.5256 -4.4848 -4.4848 -3.9565 -3.9565 -3.9525 -3.9525 -0.7452 -0.7452 1.8770 1.8770 1.9121 1.9121 1.9258 1.9258 3.3000 3.3000 3.3015 3.3015 4.1999 4.1999 4.2815 4.2815 4.3088 4.3088 5.5212 5.5212 5.5338 5.5338 5.5846 5.5846 9.4915 9.4915 12.1625 12.1625 12.1780 12.1780 12.2364 12.2364 13.4048 13.4048 k = 0.1000 0.0577 0.0408 ( 4567 PWs) bands (ev): -20.4812 -20.4812 -20.2108 -20.2108 -11.8250 -11.8250 -10.6594 -10.6594 -10.6326 -10.6326 -10.6300 -10.6300 -5.3532 -5.3532 -4.8761 -4.8761 -4.5295 -4.5295 -4.4754 -4.4754 -3.9540 -3.9540 -3.9484 -3.9484 -0.7297 -0.7297 1.8731 1.8731 1.9162 1.9162 1.9313 1.9313 3.3087 3.3087 3.3106 3.3106 4.1712 4.1712 4.2772 4.2772 4.3067 4.3067 5.5023 5.5023 5.5146 5.5146 5.5846 5.5846 9.5383 9.5383 12.1636 12.1636 12.1787 12.1787 12.2577 12.2577 13.4192 13.4193 k = 0.1143 0.0660 0.0467 ( 4576 PWs) bands (ev): -20.4797 -20.4797 -20.2124 -20.2124 -11.8203 -11.8203 -10.6678 -10.6678 -10.6328 -10.6328 -10.6302 -10.6302 -5.3531 -5.3531 -4.8842 -4.8842 -4.5338 -4.5338 -4.4652 -4.4652 -3.9513 -3.9513 -3.9437 -3.9437 -0.7120 -0.7120 1.8681 1.8681 1.9216 1.9216 1.9375 1.9375 3.3186 3.3186 3.3211 3.3211 4.1378 4.1378 4.2733 4.2733 4.3042 4.3042 5.4808 5.4808 5.4928 5.4928 5.5847 5.5847 9.5912 9.5912 12.1651 12.1651 12.1798 12.1798 12.2814 12.2814 13.4350 13.4351 k = 0.1286 0.0742 0.0525 ( 4558 PWs) bands (ev): -20.4779 -20.4779 -20.2141 -20.2141 -11.8149 -11.8149 -10.6773 -10.6773 -10.6331 -10.6331 -10.6304 -10.6304 -5.3530 -5.3530 -4.8927 -4.8927 -4.5386 -4.5386 -4.4543 -4.4543 -3.9487 -3.9487 -3.9387 -3.9387 -0.6922 -0.6922 1.8621 1.8621 1.9282 1.9282 1.9445 1.9445 3.3297 3.3297 3.3329 3.3329 4.1005 4.1005 4.2695 4.2695 4.3013 4.3013 5.4568 5.4568 5.4687 5.4687 5.5849 5.5849 9.6499 9.6499 12.1673 12.1673 12.1817 12.1817 12.3068 12.3068 13.4515 13.4516 k = 0.1429 0.0825 0.0583 ( 4546 PWs) bands (ev): -20.4760 -20.4760 -20.2160 -20.2160 -11.8090 -11.8090 -10.6877 -10.6877 -10.6333 -10.6333 -10.6306 -10.6306 -5.3528 -5.3528 -4.9013 -4.9013 -4.5437 -4.5437 -4.4428 -4.4428 -3.9460 -3.9460 -3.9332 -3.9332 -0.6704 -0.6704 1.8554 1.8554 1.9358 1.9358 1.9521 1.9521 3.3421 3.3421 3.3459 3.3459 4.0597 4.0597 4.2657 4.2657 4.2981 4.2981 5.4306 5.4306 5.4423 5.4423 5.5852 5.5852 9.7141 9.7141 12.1701 12.1701 12.1842 12.1842 12.3332 12.3332 13.4684 13.4686 k = 0.1571 0.0907 0.0642 ( 4546 PWs) bands (ev): -20.4739 -20.4739 -20.2181 -20.2181 -11.8025 -11.8025 -10.6989 -10.6989 -10.6336 -10.6336 -10.6308 -10.6308 -5.3525 -5.3525 -4.9100 -4.9100 -4.5491 -4.5491 -4.4308 -4.4308 -3.9436 -3.9436 -3.9275 -3.9275 -0.6467 -0.6467 1.8482 1.8482 1.9442 1.9442 1.9604 1.9604 3.3556 3.3556 3.3602 3.3602 4.0159 4.0159 4.2616 4.2616 4.2944 4.2944 5.4023 5.4023 5.4139 5.4139 5.5855 5.5855 9.7832 9.7832 12.1739 12.1739 12.1878 12.1878 12.3596 12.3596 13.4851 13.4856 k = 0.1714 0.0990 0.0700 ( 4540 PWs) bands (ev): -20.4716 -20.4716 -20.2203 -20.2203 -11.7955 -11.7955 -10.7110 -10.7110 -10.6338 -10.6338 -10.6311 -10.6311 -5.3521 -5.3521 -4.9187 -4.9187 -4.5548 -4.5548 -4.4185 -4.4185 -3.9414 -3.9414 -3.9214 -3.9214 -0.6211 -0.6211 1.8406 1.8406 1.9534 1.9534 1.9693 1.9693 3.3702 3.3702 3.3756 3.3756 3.9697 3.9697 4.2572 4.2572 4.2904 4.2904 5.3722 5.3722 5.3837 5.3837 5.5859 5.5859 9.8568 9.8568 12.1788 12.1788 12.1923 12.1923 12.3846 12.3846 13.5007 13.5010 k = 0.1857 0.1072 0.0758 ( 4537 PWs) bands (ev): -20.4691 -20.4691 -20.2227 -20.2227 -11.7879 -11.7879 -10.7239 -10.7239 -10.6341 -10.6341 -10.6313 -10.6313 -5.3516 -5.3516 -4.9272 -4.9272 -4.5606 -4.5606 -4.4058 -4.4058 -3.9396 -3.9396 -3.9152 -3.9152 -0.5939 -0.5939 1.8329 1.8329 1.9631 1.9631 1.9787 1.9787 3.3859 3.3859 3.3922 3.3922 3.9213 3.9213 4.2525 4.2525 4.2858 4.2858 5.3405 5.3405 5.3519 5.3519 5.5862 5.5862 9.9346 9.9346 12.1848 12.1848 12.1981 12.1981 12.4066 12.4066 13.4169 13.4169 k = 0.2000 0.1155 0.0816 ( 4549 PWs) bands (ev): -20.4665 -20.4665 -20.2253 -20.2253 -11.7800 -11.7800 -10.7374 -10.7374 -10.6344 -10.6344 -10.6316 -10.6316 -5.3510 -5.3510 -4.9355 -4.9355 -4.5666 -4.5666 -4.3930 -4.3930 -3.9383 -3.9383 -3.9088 -3.9088 -0.5651 -0.5651 1.8250 1.8250 1.9735 1.9735 1.9886 1.9886 3.4027 3.4027 3.4099 3.4099 3.8713 3.8713 4.2473 4.2473 4.2808 4.2808 5.3075 5.3075 5.3188 5.3188 5.5866 5.5866 10.0161 10.0161 12.1922 12.1922 12.2053 12.2053 12.4232 12.4232 13.3074 13.3074 k = 0.2143 0.1237 0.0875 ( 4537 PWs) bands (ev): -20.4638 -20.4638 -20.2279 -20.2279 -11.7715 -11.7715 -10.7515 -10.7515 -10.6346 -10.6346 -10.6319 -10.6319 -5.3504 -5.3504 -4.9434 -4.9434 -4.5727 -4.5727 -4.3799 -4.3799 -3.9375 -3.9375 -3.9022 -3.9022 -0.5349 -0.5349 1.8170 1.8170 1.9843 1.9843 1.9989 1.9989 3.4204 3.4204 3.4286 3.4286 3.8199 3.8199 4.2417 4.2417 4.2753 4.2753 5.2733 5.2733 5.2845 5.2845 5.5871 5.5871 10.1008 10.1008 12.2010 12.2010 12.2139 12.2139 12.4313 12.4313 13.2089 13.2089 k = 0.2286 0.1320 0.0933 ( 4543 PWs) bands (ev): -20.4610 -20.4610 -20.2307 -20.2307 -11.7627 -11.7627 -10.7661 -10.7661 -10.6349 -10.6349 -10.6322 -10.6322 -5.3496 -5.3496 -4.9510 -4.9510 -4.5788 -4.5788 -4.3667 -4.3667 -3.9374 -3.9374 -3.8957 -3.8957 -0.5036 -0.5036 1.8091 1.8091 1.9955 1.9955 2.0095 2.0095 3.4392 3.4392 3.4484 3.4484 3.7678 3.7678 4.2355 4.2355 4.2693 4.2693 5.2383 5.2383 5.2494 5.2494 5.5875 5.5875 10.1884 10.1884 12.2114 12.2114 12.2241 12.2241 12.4272 12.4272 13.1245 13.1245 k = 0.2429 0.1402 0.0991 ( 4543 PWs) bands (ev): -20.4580 -20.4580 -20.2336 -20.2336 -11.7535 -11.7535 -10.7811 -10.7811 -10.6352 -10.6352 -10.6324 -10.6324 -5.3488 -5.3488 -4.9581 -4.9581 -4.5848 -4.5848 -4.3533 -4.3533 -3.9380 -3.9380 -3.8891 -3.8891 -0.4712 -0.4712 1.8013 1.8013 2.0070 2.0070 2.0203 2.0203 3.4588 3.4588 3.4690 3.4690 3.7152 3.7152 4.2288 4.2288 4.2626 4.2626 5.2027 5.2027 5.2138 5.2138 5.5879 5.5879 10.2784 10.2784 12.2235 12.2235 12.2360 12.2360 12.4075 12.4075 13.0575 13.0575 k = 0.2571 0.1485 0.1050 ( 4549 PWs) bands (ev): -20.4550 -20.4550 -20.2366 -20.2366 -11.7440 -11.7440 -10.7965 -10.7965 -10.6355 -10.6355 -10.6327 -10.6327 -5.3479 -5.3479 -4.9648 -4.9648 -4.5909 -4.5909 -4.3398 -4.3398 -3.9394 -3.9394 -3.8826 -3.8826 -0.4379 -0.4379 1.7935 1.7935 2.0187 2.0187 2.0313 2.0313 3.4794 3.4794 3.4906 3.4906 3.6625 3.6625 4.2214 4.2214 4.2552 4.2552 5.1669 5.1669 5.1778 5.1778 5.5884 5.5884 10.3704 10.3704 12.2370 12.2370 12.2497 12.2497 12.3707 12.3707 13.0087 13.0087 k = 0.2714 0.1567 0.1108 ( 4561 PWs) bands (ev): -20.4519 -20.4519 -20.2397 -20.2397 -11.7343 -11.7343 -10.8120 -10.8120 -10.6358 -10.6358 -10.6330 -10.6330 -5.3469 -5.3469 -4.9710 -4.9710 -4.5968 -4.5968 -4.3263 -4.3263 -3.9416 -3.9416 -3.8762 -3.8762 -0.4041 -0.4041 1.7860 1.7860 2.0305 2.0305 2.0424 2.0424 3.5007 3.5007 3.5130 3.5130 3.6102 3.6102 4.2132 4.2132 4.2471 4.2471 5.1310 5.1310 5.1418 5.1418 5.5888 5.5888 10.4639 10.4639 12.2513 12.2513 12.2653 12.2653 12.3193 12.3193 12.9762 12.9762 k = 0.2857 0.1650 0.1166 ( 4567 PWs) bands (ev): -20.4487 -20.4487 -20.2428 -20.2428 -11.7243 -11.7243 -10.8277 -10.8277 -10.6361 -10.6361 -10.6333 -10.6333 -5.3460 -5.3460 -4.9767 -4.9767 -4.6025 -4.6025 -4.3127 -4.3127 -3.9447 -3.9447 -3.8700 -3.8700 -0.3699 -0.3699 1.7786 1.7786 2.0423 2.0423 2.0535 2.0535 3.5226 3.5226 3.5363 3.5363 3.5588 3.5588 4.2043 4.2043 4.2381 4.2381 5.0954 5.0954 5.1061 5.1061 5.5893 5.5893 10.5587 10.5587 12.2436 12.2436 12.2798 12.2798 12.2829 12.2829 12.9553 12.9553 k = 0.3000 0.1732 0.1225 ( 4567 PWs) bands (ev): -20.4455 -20.4455 -20.2460 -20.2460 -11.7143 -11.7143 -10.8434 -10.8434 -10.6364 -10.6364 -10.6336 -10.6336 -5.3450 -5.3450 -4.9819 -4.9819 -4.6081 -4.6081 -4.2990 -4.2990 -3.9487 -3.9487 -3.8639 -3.8639 -0.3356 -0.3356 1.7713 1.7713 2.0540 2.0540 2.0645 2.0645 3.5076 3.5076 3.5463 3.5463 3.5602 3.5602 4.1945 4.1945 4.2283 4.2283 5.0604 5.0604 5.0710 5.0710 5.5897 5.5897 10.6541 10.6541 12.1770 12.1770 12.2942 12.2942 12.3024 12.3024 12.9406 12.9406 k = 0.3143 0.1815 0.1283 ( 4570 PWs) bands (ev): -20.4423 -20.4423 -20.2491 -20.2491 -11.7042 -11.7042 -10.8589 -10.8589 -10.6367 -10.6367 -10.6339 -10.6339 -5.3440 -5.3440 -4.9865 -4.9865 -4.6134 -4.6134 -4.2853 -4.2853 -3.9535 -3.9535 -3.8581 -3.8581 -0.3014 -0.3014 1.7643 1.7643 2.0655 2.0655 2.0753 2.0753 3.4588 3.4588 3.5696 3.5696 3.5849 3.5849 4.1837 4.1837 4.2175 4.2175 5.0262 5.0262 5.0368 5.0368 5.5901 5.5901 10.7499 10.7499 12.1026 12.1026 12.3153 12.3153 12.3240 12.3240 12.9278 12.9278 k = 0.3286 0.1897 0.1341 ( 4564 PWs) bands (ev): -20.4391 -20.4391 -20.2522 -20.2522 -11.6941 -11.6941 -10.8742 -10.8742 -10.6369 -10.6369 -10.6341 -10.6341 -5.3430 -5.3430 -4.9906 -4.9906 -4.6185 -4.6185 -4.2715 -4.2715 -3.9593 -3.9593 -3.8525 -3.8525 -0.2678 -0.2678 1.7574 1.7574 2.0767 2.0767 2.0858 2.0858 3.4118 3.4118 3.5938 3.5938 3.6102 3.6102 4.1719 4.1719 4.2056 4.2056 4.9933 4.9933 5.0038 5.0038 5.5905 5.5905 10.8455 10.8455 12.0276 12.0276 12.3391 12.3391 12.3477 12.3477 12.9136 12.9136 k = 0.3429 0.1979 0.1400 ( 4564 PWs) bands (ev): -20.4360 -20.4360 -20.2553 -20.2553 -11.6842 -11.6842 -10.8891 -10.8891 -10.6372 -10.6372 -10.6344 -10.6344 -5.3420 -5.3420 -4.9942 -4.9942 -4.6233 -4.6233 -4.2578 -4.2578 -3.9658 -3.9658 -3.8473 -3.8473 -0.2349 -0.2349 1.7507 1.7507 2.0875 2.0875 2.0959 2.0959 3.3669 3.3669 3.6187 3.6187 3.6360 3.6360 4.1590 4.1590 4.1926 4.1926 4.9618 4.9618 4.9723 4.9723 5.5909 5.5909 10.9405 10.9405 11.9545 11.9545 12.3651 12.3651 12.3735 12.3735 12.8960 12.8960 k = 0.3571 0.2062 0.1458 ( 4558 PWs) bands (ev): -20.4329 -20.4329 -20.2583 -20.2583 -11.6745 -11.6745 -10.9035 -10.9035 -10.6374 -10.6374 -10.6346 -10.6346 -5.3412 -5.3412 -4.9973 -4.9973 -4.6277 -4.6277 -4.2441 -4.2441 -3.9732 -3.9732 -3.8423 -3.8423 -0.2031 -0.2031 1.7443 1.7443 2.0978 2.0978 2.1056 2.1056 3.3247 3.3247 3.6440 3.6440 3.6624 3.6624 4.1449 4.1449 4.1783 4.1783 4.9321 4.9321 4.9425 4.9425 5.5913 5.5913 11.0343 11.0343 11.8848 11.8848 12.3932 12.3932 12.4013 12.4013 12.8738 12.8738 k = 0.3714 0.2144 0.1516 ( 4546 PWs) bands (ev): -20.4300 -20.4300 -20.2612 -20.2612 -11.6652 -11.6652 -10.9172 -10.9172 -10.6376 -10.6376 -10.6348 -10.6348 -5.3403 -5.3403 -5.0000 -5.0000 -4.6319 -4.6319 -4.2304 -4.2304 -3.9813 -3.9813 -3.8378 -3.8378 -0.1728 -0.1728 1.7380 1.7380 2.1075 2.1075 2.1146 2.1146 3.2854 3.2854 3.6697 3.6697 3.6891 3.6891 4.1296 4.1296 4.1628 4.1628 4.9045 4.9045 4.9149 4.9149 5.5917 5.5917 11.1262 11.1262 11.8198 11.8198 12.4234 12.4234 12.4311 12.4311 12.8467 12.8467 k = 0.3857 0.2227 0.1575 ( 4543 PWs) bands (ev): -20.4272 -20.4272 -20.2640 -20.2640 -11.6563 -11.6563 -10.9300 -10.9300 -10.6378 -10.6378 -10.6350 -10.6350 -5.3396 -5.3396 -5.0023 -5.0023 -4.6356 -4.6356 -4.2168 -4.2168 -3.9901 -3.9901 -3.8337 -3.8337 -0.1443 -0.1443 1.7321 1.7321 2.1164 2.1164 2.1230 2.1230 3.2493 3.2493 3.6958 3.6958 3.7162 3.7162 4.1130 4.1130 4.1461 4.1461 4.8792 4.8792 4.8895 4.8895 5.5920 5.5920 11.2154 11.2154 11.7603 11.7603 12.4555 12.4555 12.4628 12.4628 12.8150 12.8150 k = 0.4000 0.2309 0.1633 ( 4543 PWs) bands (ev): -20.4246 -20.4246 -20.2666 -20.2666 -11.6481 -11.6481 -10.9419 -10.9419 -10.6380 -10.6380 -10.6352 -10.6352 -5.3389 -5.3389 -5.0041 -5.0041 -4.6390 -4.6390 -4.2033 -4.2033 -3.9994 -3.9994 -3.8299 -3.8299 -0.1181 -0.1181 1.7265 1.7265 2.1246 2.1246 2.1307 2.1307 3.2167 3.2167 3.7221 3.7221 3.7434 3.7434 4.0952 4.0952 4.1280 4.1280 4.8564 4.8564 4.8667 4.8667 5.5923 5.5923 11.3010 11.3010 11.7070 11.7070 12.4893 12.4893 12.4961 12.4961 12.7792 12.7792 k = 0.4143 0.2392 0.1691 ( 4537 PWs) bands (ev): -20.4222 -20.4222 -20.2689 -20.2689 -11.6405 -11.6405 -10.9526 -10.9526 -10.6382 -10.6382 -10.6354 -10.6354 -5.3383 -5.3383 -5.0056 -5.0056 -4.6419 -4.6419 -4.1901 -4.1901 -4.0091 -4.0091 -3.8267 -3.8267 -0.0944 -0.0944 1.7213 1.7213 2.1319 2.1319 2.1375 2.1375 3.1880 3.1880 3.7485 3.7485 3.7705 3.7705 4.0764 4.0764 4.1089 4.1089 4.8363 4.8363 4.8466 4.8466 5.5925 5.5925 11.3814 11.3814 11.6609 11.6609 12.5246 12.5246 12.5309 12.5309 12.7407 12.7407 k = 0.4286 0.2474 0.1750 ( 4536 PWs) bands (ev): -20.4201 -20.4201 -20.2710 -20.2710 -11.6339 -11.6339 -10.9620 -10.9620 -10.6383 -10.6383 -10.6355 -10.6355 -5.3378 -5.3378 -5.0068 -5.0068 -4.6445 -4.6445 -4.1774 -4.1774 -4.0191 -4.0191 -3.8239 -3.8239 -0.0736 -0.0736 1.7166 1.7166 2.1382 2.1382 2.1434 2.1434 3.1633 3.1633 3.7746 3.7746 3.7975 3.7975 4.0565 4.0565 4.0887 4.0887 4.8191 4.8191 4.8294 4.8294 5.5927 5.5927 11.4539 11.4539 11.6235 11.6235 12.5607 12.5607 12.5667 12.5667 12.7011 12.7011 k = 0.4429 0.2557 0.1808 ( 4533 PWs) bands (ev): -20.4184 -20.4184 -20.2727 -20.2727 -11.6282 -11.6282 -10.9699 -10.9699 -10.6384 -10.6384 -10.6356 -10.6356 -5.3374 -5.3374 -5.0078 -5.0078 -4.6465 -4.6465 -4.1652 -4.1652 -4.0289 -4.0289 -3.8216 -3.8216 -0.0561 -0.0561 1.7126 1.7126 2.1434 2.1434 2.1483 2.1483 3.1428 3.1428 3.8002 3.8002 3.8237 3.8237 4.0362 4.0362 4.0681 4.0681 4.8049 4.8049 4.8153 4.8153 5.5929 5.5929 11.5109 11.5109 11.6008 11.6008 12.5963 12.5963 12.6029 12.6029 12.6634 12.6634 k = 0.4571 0.2639 0.1866 ( 4509 PWs) bands (ev): -20.4169 -20.4169 -20.2741 -20.2741 -11.6237 -11.6237 -10.9762 -10.9762 -10.6385 -10.6385 -10.6357 -10.6357 -5.3371 -5.3371 -5.0084 -5.0084 -4.6482 -4.6482 -4.1542 -4.1542 -4.0383 -4.0383 -3.8198 -3.8198 -0.0421 -0.0421 1.7094 1.7094 2.1476 2.1476 2.1522 2.1522 3.1267 3.1267 3.8246 3.8246 3.8486 3.8486 4.0158 4.0158 4.0475 4.0475 4.7937 4.7937 4.8042 4.8042 5.5931 5.5931 11.5305 11.5305 11.6127 11.6127 12.6156 12.6156 12.6380 12.6380 12.6448 12.6448 k = 0.4714 0.2722 0.1925 ( 4515 PWs) bands (ev): -20.4159 -20.4159 -20.2752 -20.2752 -11.6204 -11.6204 -10.9808 -10.9808 -10.6386 -10.6386 -10.6358 -10.6358 -5.3369 -5.3369 -5.0089 -5.0089 -4.6493 -4.6493 -4.1448 -4.1448 -4.0464 -4.0464 -3.8185 -3.8185 -0.0320 -0.0320 1.7070 1.7070 2.1506 2.1506 2.1550 2.1550 3.1152 3.1152 3.8464 3.8464 3.8708 3.8708 3.9968 3.9968 4.0284 4.0284 4.7857 4.7857 4.7962 4.7962 5.5932 5.5932 11.5227 11.5227 11.6462 11.6462 12.5933 12.5933 12.6697 12.6697 12.6715 12.6715 k = 0.4857 0.2804 0.1983 ( 4512 PWs) bands (ev): -20.4152 -20.4152 -20.2758 -20.2758 -11.6183 -11.6183 -10.9836 -10.9836 -10.6386 -10.6386 -10.6358 -10.6358 -5.3367 -5.3367 -5.0092 -5.0092 -4.6500 -4.6500 -4.1383 -4.1383 -4.0522 -4.0522 -3.8177 -3.8177 -0.0258 -0.0258 1.7055 1.7055 2.1524 2.1524 2.1567 2.1567 3.1082 3.1082 3.8631 3.8631 3.8876 3.8876 3.9819 3.9819 4.0134 4.0134 4.7809 4.7809 4.7914 4.7914 5.5932 5.5932 11.5143 11.5143 11.6718 11.6718 12.5749 12.5749 12.6935 12.6935 12.6963 12.6963 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -20.4150 -20.4150 -20.2760 -20.2760 -11.6176 -11.6176 -10.9846 -10.9846 -10.6386 -10.6386 -10.6358 -10.6358 -5.3367 -5.3367 -5.0093 -5.0093 -4.6503 -4.6503 -4.1360 -4.1360 -4.0543 -4.0543 -3.8174 -3.8174 -0.0237 -0.0237 1.7050 1.7050 2.1530 2.1530 2.1573 2.1573 3.1058 3.1058 3.8698 3.8698 3.8942 3.8942 3.9758 3.9758 4.0074 4.0074 4.7793 4.7793 4.7898 4.7898 5.5933 5.5933 11.5112 11.5112 11.6809 11.6809 12.5683 12.5683 12.7028 12.7028 12.7062 12.7062 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -20.4150 -20.4150 -20.2760 -20.2760 -11.6176 -11.6176 -10.9846 -10.9846 -10.6386 -10.6386 -10.6358 -10.6358 -5.3367 -5.3367 -5.0093 -5.0093 -4.6503 -4.6503 -4.1360 -4.1360 -4.0543 -4.0543 -3.8174 -3.8174 -0.0237 -0.0237 1.7050 1.7050 2.1530 2.1530 2.1573 2.1573 3.1058 3.1058 3.8698 3.8698 3.8942 3.8942 3.9758 3.9758 4.0074 4.0074 4.7793 4.7793 4.7898 4.7898 5.5933 5.5933 11.5112 11.5112 11.6809 11.6809 12.5683 12.5683 12.7028 12.7028 12.7062 12.7062 k = 0.5050 0.2742 0.2123 ( 4515 PWs) bands (ev): -20.4149 -20.4149 -20.2761 -20.2761 -11.6172 -11.6172 -10.9851 -10.9851 -10.6386 -10.6386 -10.6358 -10.6358 -5.3365 -5.3365 -5.0097 -5.0097 -4.6499 -4.6499 -4.1362 -4.1362 -4.0543 -4.0543 -3.8172 -3.8172 -0.0225 -0.0225 1.7025 1.7025 2.1541 2.1541 2.1585 2.1585 3.1057 3.1057 3.8686 3.8686 3.8925 3.8925 3.9780 3.9780 4.0090 4.0090 4.7785 4.7785 4.7890 4.7890 5.5920 5.5920 11.5123 11.5123 11.6813 11.6813 12.5591 12.5591 12.6997 12.6997 12.7037 12.7037 k = 0.5100 0.2598 0.2205 ( 4532 PWs) bands (ev): -20.4146 -20.4146 -20.2764 -20.2764 -11.6160 -11.6160 -10.9867 -10.9867 -10.6387 -10.6387 -10.6359 -10.6359 -5.3359 -5.3359 -5.0109 -5.0109 -4.6489 -4.6489 -4.1368 -4.1368 -4.0541 -4.0541 -3.8166 -3.8166 -0.0189 -0.0189 1.6951 1.6951 2.1567 2.1567 2.1627 2.1627 3.1053 3.1053 3.8654 3.8654 3.8878 3.8878 3.9841 3.9841 4.0137 4.0137 4.7757 4.7757 4.7871 4.7871 5.5881 5.5881 11.5157 11.5157 11.6827 11.6827 12.5328 12.5328 12.6924 12.6924 12.6984 12.6984 k = 0.5150 0.2454 0.2286 ( 4530 PWs) bands (ev): -20.4141 -20.4141 -20.2769 -20.2769 -11.6139 -11.6139 -10.9894 -10.9894 -10.6388 -10.6388 -10.6361 -10.6361 -5.3349 -5.3349 -5.0130 -5.0130 -4.6471 -4.6471 -4.1378 -4.1378 -4.0538 -4.0538 -3.8156 -3.8156 -0.0129 -0.0129 1.6832 1.6832 2.1602 2.1602 2.1703 2.1703 3.1046 3.1046 3.8602 3.8602 3.8812 3.8812 3.9930 3.9930 4.0213 4.0213 4.7703 4.7703 4.7849 4.7849 5.5817 5.5817 11.5212 11.5212 11.6849 11.6849 12.4937 12.4937 12.6843 12.6843 12.6925 12.6925 k = 0.5200 0.2309 0.2368 ( 4533 PWs) bands (ev): -20.4134 -20.4134 -20.2776 -20.2776 -11.6110 -11.6110 -10.9931 -10.9931 -10.6390 -10.6390 -10.6362 -10.6362 -5.3336 -5.3336 -5.0158 -5.0158 -4.6447 -4.6447 -4.1392 -4.1392 -4.0534 -4.0534 -3.8142 -3.8142 -0.0046 -0.0046 1.6672 1.6672 2.1645 2.1645 2.1806 2.1806 3.1038 3.1038 3.8535 3.8535 3.8736 3.8736 4.0035 4.0035 4.0316 4.0316 4.7618 4.7618 4.7826 4.7826 5.5729 5.5729 11.5289 11.5289 11.6882 11.6882 12.4470 12.4470 12.6745 12.6745 12.6881 12.6881 k = 0.5250 0.2165 0.2449 ( 4531 PWs) bands (ev): -20.4125 -20.4125 -20.2786 -20.2786 -11.6073 -11.6073 -10.9978 -10.9978 -10.6391 -10.6391 -10.6365 -10.6365 -5.3318 -5.3318 -5.0193 -5.0193 -4.6416 -4.6416 -4.1410 -4.1410 -4.0528 -4.0528 -3.8125 -3.8125 0.0061 0.0061 1.6476 1.6476 2.1699 2.1699 2.1930 2.1930 3.1029 3.1029 3.8455 3.8455 3.8655 3.8655 4.0151 4.0151 4.0444 4.0444 4.7505 4.7505 4.7801 4.7801 5.5617 5.5617 11.5386 11.5386 11.6927 11.6927 12.3964 12.3964 12.6630 12.6630 12.6854 12.6854 k = 0.5300 0.2021 0.2531 ( 4528 PWs) bands (ev): -20.4113 -20.4113 -20.2797 -20.2797 -11.6028 -11.6028 -11.0035 -11.0035 -10.6394 -10.6394 -10.6368 -10.6368 -5.3297 -5.3297 -5.0235 -5.0235 -4.6380 -4.6380 -4.1433 -4.1433 -4.0520 -4.0520 -3.8105 -3.8105 0.0190 0.0190 1.6250 1.6250 2.1764 2.1764 2.2069 2.2069 3.1019 3.1019 3.8365 3.8365 3.8572 3.8572 4.0272 4.0272 4.0593 4.0593 4.7368 4.7368 4.7773 4.7773 5.5483 5.5483 11.5503 11.5503 11.6983 11.6983 12.3443 12.3443 12.6505 12.6505 12.6831 12.6831 k = 0.5350 0.1876 0.2613 ( 4530 PWs) bands (ev): -20.4100 -20.4100 -20.2810 -20.2810 -11.5975 -11.5975 -11.0103 -11.0103 -10.6396 -10.6396 -10.6371 -10.6371 -5.3272 -5.3272 -5.0283 -5.0283 -4.6338 -4.6338 -4.1460 -4.1460 -4.0509 -4.0509 -3.8083 -3.8083 0.0342 0.0342 1.5997 1.5997 2.1839 2.1839 2.2217 2.2217 3.1011 3.1011 3.8267 3.8267 3.8490 3.8490 4.0398 4.0398 4.0760 4.0760 4.7208 4.7208 4.7739 4.7739 5.5329 5.5329 11.5639 11.5639 11.7053 11.7053 12.2921 12.2921 12.6377 12.6377 12.6803 12.6803 k = 0.5400 0.1732 0.2694 ( 4526 PWs) bands (ev): -20.4085 -20.4085 -20.2825 -20.2825 -11.5914 -11.5914 -11.0179 -11.0179 -10.6399 -10.6399 -10.6374 -10.6374 -5.3244 -5.3244 -5.0337 -5.0337 -4.6292 -4.6292 -4.1492 -4.1492 -4.0496 -4.0496 -3.8059 -3.8059 0.0516 0.0516 1.5723 1.5723 2.1925 2.1925 2.2372 2.2372 3.1005 3.1005 3.8161 3.8161 3.8408 3.8408 4.0529 4.0529 4.0941 4.0941 4.7030 4.7030 4.7700 4.7700 5.5156 5.5156 11.5792 11.5792 11.7137 11.7137 12.2409 12.2409 12.6250 12.6250 12.6765 12.6765 k = 0.5450 0.1588 0.2776 ( 4529 PWs) bands (ev): -20.4068 -20.4068 -20.2841 -20.2841 -11.5845 -11.5845 -11.0265 -11.0265 -10.6403 -10.6403 -10.6378 -10.6378 -5.3213 -5.3213 -5.0395 -5.0395 -4.6242 -4.6242 -4.1527 -4.1527 -4.0480 -4.0480 -3.8033 -3.8033 0.0711 0.0711 1.5429 1.5429 2.2020 2.2020 2.2530 2.2530 3.1002 3.1002 3.8049 3.8049 3.8329 3.8329 4.0664 4.0664 4.1131 4.1131 4.6836 4.6836 4.7652 4.7652 5.4967 5.4967 11.5960 11.5960 11.7237 11.7237 12.1914 12.1914 12.6125 12.6125 12.6711 12.6711 k = 0.5500 0.1443 0.2858 ( 4527 PWs) bands (ev): -20.4050 -20.4050 -20.2860 -20.2860 -11.5768 -11.5768 -11.0360 -11.0360 -10.6406 -10.6406 -10.6383 -10.6383 -5.3180 -5.3180 -5.0458 -5.0458 -4.6188 -4.6188 -4.1567 -4.1567 -4.0460 -4.0460 -3.8007 -3.8007 0.0927 0.0927 1.5119 1.5119 2.2124 2.2124 2.2688 2.2688 3.1003 3.1003 3.7932 3.7932 3.8251 3.8251 4.0804 4.0804 4.1328 4.1328 4.6631 4.6631 4.7596 4.7596 5.4764 5.4764 11.6140 11.6140 11.7352 11.7352 12.1442 12.1442 12.6005 12.6005 12.6635 12.6635 k = 0.5550 0.1299 0.2939 ( 4534 PWs) bands (ev): -20.4029 -20.4029 -20.2880 -20.2880 -11.5685 -11.5685 -11.0463 -11.0463 -10.6410 -10.6410 -10.6387 -10.6387 -5.3143 -5.3143 -5.0524 -5.0524 -4.6131 -4.6131 -4.1610 -4.1610 -4.0438 -4.0438 -3.7980 -3.7980 0.1162 0.1162 1.4795 1.4795 2.2235 2.2235 2.2844 2.2844 3.1008 3.1008 3.7810 3.7810 3.8177 3.8177 4.0947 4.0947 4.1526 4.1526 4.6418 4.6418 4.7529 4.7529 5.4550 5.4550 11.6329 11.6329 11.7483 11.7483 12.1000 12.1000 12.5891 12.5891 12.6534 12.6534 k = 0.5600 0.1155 0.3021 ( 4530 PWs) bands (ev): -20.4007 -20.4007 -20.2902 -20.2902 -11.5594 -11.5594 -11.0574 -11.0574 -10.6414 -10.6414 -10.6392 -10.6392 -5.3104 -5.3104 -5.0593 -5.0593 -4.6072 -4.6072 -4.1656 -4.1656 -4.0413 -4.0413 -3.7954 -3.7954 0.1416 0.1416 1.4459 1.4459 2.2354 2.2354 2.2997 2.2997 3.1020 3.1020 3.7684 3.7684 3.8105 3.8105 4.1096 4.1096 4.1722 4.1722 4.6204 4.6204 4.7451 4.7451 5.4328 5.4328 11.6523 11.6523 11.7630 11.7630 12.0597 12.0597 12.5785 12.5785 12.6404 12.6404 k = 0.5650 0.1010 0.3103 ( 4532 PWs) bands (ev): -20.3983 -20.3983 -20.2926 -20.2926 -11.5497 -11.5497 -11.0692 -11.0692 -10.6419 -10.6419 -10.6396 -10.6396 -5.3063 -5.3063 -5.0665 -5.0665 -4.6010 -4.6010 -4.1706 -4.1706 -4.0384 -4.0384 -3.7928 -3.7928 0.1686 0.1686 1.4112 1.4112 2.2480 2.2480 2.3144 2.3144 3.1037 3.1037 3.7552 3.7552 3.8036 3.8036 4.1248 4.1248 4.1908 4.1908 4.5996 4.5996 4.7359 4.7359 5.4100 5.4100 11.6713 11.6713 11.7790 11.7790 12.0242 12.0242 12.5686 12.5686 12.6243 12.6243 k = 0.5700 0.0866 0.3184 ( 4535 PWs) bands (ev): -20.3958 -20.3958 -20.2951 -20.2951 -11.5393 -11.5393 -11.0816 -11.0816 -10.6424 -10.6424 -10.6401 -10.6401 -5.3020 -5.3020 -5.0738 -5.0738 -4.5947 -4.5947 -4.1758 -4.1758 -4.0353 -4.0353 -3.7904 -3.7904 0.1973 0.1973 1.3757 1.3757 2.2610 2.2610 2.3286 2.3286 3.1061 3.1061 3.7417 3.7417 3.7972 3.7972 4.1404 4.1404 4.2077 4.2077 4.5805 4.5805 4.7253 4.7253 5.3872 5.3872 11.6889 11.6889 11.7962 11.7962 11.9950 11.9950 12.5596 12.5596 12.6049 12.6049 k = 0.5750 0.0722 0.3266 ( 4539 PWs) bands (ev): -20.3932 -20.3932 -20.2977 -20.2977 -11.5283 -11.5283 -11.0946 -11.0946 -10.6428 -10.6428 -10.6406 -10.6406 -5.2976 -5.2976 -5.0812 -5.0812 -4.5883 -4.5883 -4.1813 -4.1813 -4.0319 -4.0319 -3.7881 -3.7881 0.2274 0.2274 1.3394 1.3394 2.2745 2.2745 2.3421 2.3421 3.1092 3.1092 3.7278 3.7278 3.7913 3.7913 4.1564 4.1564 4.2217 4.2217 4.5642 4.5642 4.7130 4.7130 5.3645 5.3645 11.7036 11.7036 11.8142 11.8142 11.9740 11.9740 12.5514 12.5514 12.5822 12.5822 k = 0.5800 0.0577 0.3348 ( 4537 PWs) bands (ev): -20.3904 -20.3904 -20.3004 -20.3004 -11.5167 -11.5167 -11.1081 -11.1081 -10.6434 -10.6434 -10.6411 -10.6411 -5.2931 -5.2931 -5.0886 -5.0886 -4.5819 -4.5819 -4.1869 -4.1869 -4.0283 -4.0283 -3.7860 -3.7860 0.2587 0.2587 1.3025 1.3025 2.2882 2.2882 2.3548 2.3548 3.1129 3.1129 3.7136 3.7136 3.7859 3.7859 4.1726 4.1726 4.2317 4.2317 4.5521 4.5521 4.6991 4.6991 5.3424 5.3424 11.7133 11.7133 11.8331 11.8331 11.9631 11.9631 12.5434 12.5434 12.5568 12.5568 k = 0.5850 0.0433 0.3429 ( 4535 PWs) bands (ev): -20.3875 -20.3875 -20.3033 -20.3033 -11.5047 -11.5047 -11.1221 -11.1221 -10.6439 -10.6439 -10.6416 -10.6416 -5.2886 -5.2886 -5.0961 -5.0961 -4.5754 -4.5754 -4.1927 -4.1927 -4.0244 -4.0244 -3.7841 -3.7841 0.2910 0.2910 1.2652 1.2652 2.3020 2.3020 2.3668 2.3668 3.1173 3.1173 3.6990 3.6990 3.7810 3.7810 4.1891 4.1891 4.2365 4.2365 4.5456 4.5456 4.6833 4.6833 5.3211 5.3211 11.7166 11.7166 11.8532 11.8532 11.9634 11.9634 12.5246 12.5246 12.5401 12.5401 k = 0.5900 0.0289 0.3511 ( 4533 PWs) bands (ev): -20.3846 -20.3846 -20.3062 -20.3062 -11.4923 -11.4923 -11.1362 -11.1362 -10.6444 -10.6444 -10.6420 -10.6420 -5.2840 -5.2840 -5.1035 -5.1035 -4.5689 -4.5689 -4.1986 -4.1986 -4.0202 -4.0202 -3.7825 -3.7825 0.3240 0.3240 1.2277 1.2277 2.3158 2.3158 2.3780 2.3780 3.1223 3.1223 3.6842 3.6842 3.7769 3.7769 4.2056 4.2056 4.2354 4.2354 4.5456 4.5456 4.6656 4.6656 5.3010 5.3010 11.7137 11.7137 11.8748 11.8748 11.9737 11.9737 12.4930 12.4930 12.5343 12.5343 k = 0.5950 0.0144 0.3593 ( 4525 PWs) bands (ev): -20.3816 -20.3816 -20.3092 -20.3092 -11.4796 -11.4796 -11.1506 -11.1506 -10.6449 -10.6449 -10.6425 -10.6425 -5.2795 -5.2795 -5.1107 -5.1107 -4.5626 -4.5626 -4.2046 -4.2046 -4.0158 -4.0158 -3.7811 -3.7811 0.3574 0.3574 1.1903 1.1903 2.3294 2.3294 2.3883 2.3883 3.1279 3.1279 3.6692 3.6692 3.7735 3.7735 4.2210 4.2210 4.2294 4.2294 4.5523 4.5523 4.6462 4.6462 5.2823 5.2823 11.7067 11.7067 11.8981 11.8981 11.9916 11.9916 12.4585 12.4585 12.5301 12.5301 k = 0.6000-0.0000 0.3674 ( 4531 PWs) bands (ev): -20.3785 -20.3785 -20.3122 -20.3122 -11.4668 -11.4668 -11.1648 -11.1648 -10.6454 -10.6454 -10.6430 -10.6430 -5.2751 -5.2751 -5.1178 -5.1178 -4.5563 -4.5563 -4.2106 -4.2106 -4.0112 -4.0112 -3.7801 -3.7801 0.3907 0.3907 1.1533 1.1533 2.3427 2.3427 2.3978 2.3978 3.1339 3.1339 3.6541 3.6541 3.7710 3.7710 4.2152 4.2152 4.2397 4.2397 4.5649 4.5649 4.6253 4.6253 5.2651 5.2651 11.6979 11.6979 11.9224 11.9224 12.0145 12.0145 12.4224 12.4224 12.5271 12.5271 k = 0.6050-0.0144 0.3756 ( 4523 PWs) bands (ev): -20.3755 -20.3755 -20.3152 -20.3152 -11.4541 -11.4541 -11.1788 -11.1788 -10.6459 -10.6459 -10.6434 -10.6434 -5.2709 -5.2709 -5.1245 -5.1245 -4.5503 -4.5503 -4.2167 -4.2167 -4.0065 -4.0065 -3.7793 -3.7793 0.4234 0.4234 1.1173 1.1173 2.3554 2.3554 2.4063 2.4063 3.1404 3.1404 3.6390 3.6390 3.7694 3.7694 4.1995 4.1995 4.2555 4.2555 4.5820 4.5820 4.6034 4.6034 5.2497 5.2497 11.6894 11.6894 11.9469 11.9469 12.0402 12.0402 12.3858 12.3858 12.5251 12.5251 k = 0.6100-0.0289 0.3838 ( 4529 PWs) bands (ev): -20.3726 -20.3726 -20.3181 -20.3181 -11.4417 -11.4417 -11.1923 -11.1923 -10.6464 -10.6464 -10.6439 -10.6439 -5.2670 -5.2670 -5.1308 -5.1308 -4.5445 -4.5445 -4.2227 -4.2227 -4.0015 -4.0015 -3.7789 -3.7789 0.4546 0.4546 1.0828 1.0828 2.3674 2.3674 2.4140 2.4140 3.1472 3.1472 3.6239 3.6239 3.7688 3.7688 4.1814 4.1814 4.2704 4.2704 4.5795 4.5795 4.6042 4.6042 5.2360 5.2360 11.6822 11.6822 11.9701 11.9701 12.0669 12.0669 12.3507 12.3507 12.5243 12.5243 k = 0.6150-0.0433 0.3919 ( 4533 PWs) bands (ev): -20.3699 -20.3699 -20.3208 -20.3208 -11.4301 -11.4301 -11.2047 -11.2047 -10.6469 -10.6469 -10.6443 -10.6443 -5.2635 -5.2635 -5.1366 -5.1366 -4.5389 -4.5389 -4.2287 -4.2287 -3.9963 -3.9963 -3.7789 -3.7789 0.4835 0.4835 1.0508 1.0508 2.3786 2.3786 2.4207 2.4207 3.1543 3.1543 3.6091 3.6091 3.7693 3.7693 4.1620 4.1620 4.2837 4.2837 4.5573 4.5573 4.6276 4.6276 5.2241 5.2241 11.6771 11.6771 11.9902 11.9902 12.0927 12.0927 12.3200 12.3200 12.5244 12.5244 k = 0.6200-0.0577 0.4001 ( 4530 PWs) bands (ev): -20.3676 -20.3676 -20.3232 -20.3232 -11.4198 -11.4198 -11.2155 -11.2155 -10.6473 -10.6473 -10.6447 -10.6447 -5.2604 -5.2604 -5.1418 -5.1418 -4.5337 -4.5337 -4.2347 -4.2347 -3.9910 -3.9910 -3.7791 -3.7791 0.5085 0.5085 1.0226 1.0226 2.3887 2.3887 2.4264 2.4264 3.1616 3.1616 3.5945 3.5945 3.7711 3.7711 4.1423 4.1423 4.2938 4.2938 4.5368 4.5368 4.6532 4.6532 5.2139 5.2139 11.6744 11.6744 12.0044 12.0044 12.1149 12.1149 12.2988 12.2988 12.5257 12.5257 k = 0.6250-0.0722 0.4082 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6477 -10.6477 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2054 5.2054 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.6250-0.0722 0.4082 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6477 -10.6477 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2054 5.2054 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.6167-0.0674 0.4219 ( 4530 PWs) bands (ev): -20.3656 -20.3656 -20.3251 -20.3251 -11.4112 -11.4112 -11.2244 -11.2244 -10.6477 -10.6477 -10.6451 -10.6451 -5.2579 -5.2579 -5.1463 -5.1463 -4.5289 -4.5289 -4.2404 -4.2404 -3.9856 -3.9856 -3.7797 -3.7797 0.5291 0.5291 0.9987 0.9987 2.3975 2.3975 2.4310 2.4310 3.1701 3.1701 3.5777 3.5777 3.7765 3.7765 4.1217 4.1217 4.3005 4.3005 4.5183 4.5183 4.6828 4.6828 5.2036 5.2036 11.6749 11.6749 12.0087 12.0087 12.1316 12.1316 12.2813 12.2813 12.5417 12.5417 k = 0.6083-0.0625 0.4355 ( 4532 PWs) bands (ev): -20.3653 -20.3653 -20.3254 -20.3254 -11.4099 -11.4099 -11.2258 -11.2258 -10.6477 -10.6477 -10.6451 -10.6451 -5.2574 -5.2574 -5.1467 -5.1467 -4.5290 -4.5290 -4.2401 -4.2401 -3.9862 -3.9862 -3.7794 -3.7794 0.5326 0.5326 0.9955 0.9955 2.3975 2.3975 2.4307 2.4307 3.1731 3.1731 3.5702 3.5702 3.7836 3.7836 4.1176 4.1176 4.3049 4.3049 4.5125 4.5125 4.6902 4.6902 5.1983 5.1983 11.6776 11.6776 12.0079 12.0079 12.1317 12.1317 12.2536 12.2536 12.5770 12.5770 k = 0.6000-0.0577 0.4491 ( 4532 PWs) bands (ev): -20.3648 -20.3648 -20.3259 -20.3259 -11.4078 -11.4078 -11.2282 -11.2282 -10.6476 -10.6476 -10.6451 -10.6451 -5.2566 -5.2566 -5.1473 -5.1473 -4.5291 -4.5291 -4.2397 -4.2397 -3.9870 -3.9870 -3.7790 -3.7790 0.5385 0.5385 0.9901 0.9901 2.3974 2.3974 2.4303 2.4303 3.1780 3.1780 3.5588 3.5588 3.7943 3.7943 4.1113 4.1113 4.3118 4.3118 4.5039 4.5039 4.7015 4.7015 5.1896 5.1896 11.6820 11.6820 12.0062 12.0062 12.1320 12.1320 12.2193 12.2193 12.6246 12.6246 k = 0.5917-0.0529 0.4627 ( 4532 PWs) bands (ev): -20.3642 -20.3642 -20.3265 -20.3265 -11.4049 -11.4049 -11.2315 -11.2315 -10.6474 -10.6474 -10.6451 -10.6451 -5.2555 -5.2555 -5.1482 -5.1482 -4.5293 -4.5293 -4.2391 -4.2391 -3.9882 -3.9882 -3.7785 -3.7785 0.5466 0.5466 0.9826 0.9826 2.3975 2.3975 2.4296 2.4296 3.1848 3.1848 3.5445 3.5445 3.8077 3.8077 4.1032 4.1032 4.3206 4.3206 4.4936 4.4936 4.7156 4.7156 5.1775 5.1775 11.6881 11.6881 12.0027 12.0027 12.1323 12.1323 12.1846 12.1846 12.6787 12.6787 k = 0.5833-0.0481 0.4763 ( 4542 PWs) bands (ev): -20.3633 -20.3633 -20.3274 -20.3274 -11.4012 -11.4012 -11.2357 -11.2357 -10.6472 -10.6472 -10.6451 -10.6451 -5.2541 -5.2541 -5.1492 -5.1492 -4.5295 -4.5295 -4.2383 -4.2383 -3.9896 -3.9896 -3.7778 -3.7778 0.5570 0.5570 0.9730 0.9730 2.3976 2.3976 2.4288 2.4288 3.1933 3.1933 3.5281 3.5281 3.8228 3.8228 4.0937 4.0937 4.3310 4.3310 4.4824 4.4824 4.7317 4.7317 5.1624 5.1624 11.6957 11.6957 11.9961 11.9961 12.1323 12.1323 12.1537 12.1537 12.7366 12.7366 k = 0.5750-0.0433 0.4899 ( 4543 PWs) bands (ev): -20.3623 -20.3623 -20.3284 -20.3284 -11.3966 -11.3966 -11.2408 -11.2408 -10.6471 -10.6471 -10.6451 -10.6451 -5.2525 -5.2525 -5.1504 -5.1504 -4.5298 -4.5298 -4.2375 -4.2375 -3.9913 -3.9913 -3.7771 -3.7771 0.5696 0.5696 0.9613 0.9613 2.3979 2.3979 2.4279 2.4279 3.2034 3.2034 3.5104 3.5104 3.8389 3.8389 4.0832 4.0832 4.3423 4.3423 4.4711 4.4711 4.7492 4.7492 5.1444 5.1444 11.7046 11.7046 11.9848 11.9848 12.1269 12.1269 12.1349 12.1349 12.7965 12.7965 k = 0.5667-0.0385 0.5035 ( 4531 PWs) bands (ev): -20.3611 -20.3611 -20.3296 -20.3296 -11.3912 -11.3912 -11.2468 -11.2468 -10.6469 -10.6469 -10.6451 -10.6451 -5.2507 -5.2507 -5.1518 -5.1518 -4.5301 -4.5301 -4.2365 -4.2365 -3.9931 -3.9931 -3.7763 -3.7763 0.5844 0.5844 0.9476 0.9476 2.3984 2.3984 2.4268 2.4268 3.2150 3.2150 3.4918 3.4918 3.8556 3.8556 4.0720 4.0720 4.3541 4.3541 4.4599 4.4599 4.7678 4.7678 5.1238 5.1238 11.7148 11.7148 11.9680 11.9680 12.1116 12.1116 12.1339 12.1339 12.8573 12.8573 k = 0.5583-0.0337 0.5171 ( 4529 PWs) bands (ev): -20.3597 -20.3597 -20.3310 -20.3310 -11.3851 -11.3851 -11.2536 -11.2536 -10.6467 -10.6467 -10.6451 -10.6451 -5.2488 -5.2488 -5.1533 -5.1533 -4.5304 -4.5304 -4.2354 -4.2354 -3.9950 -3.9950 -3.7755 -3.7755 0.6012 0.6012 0.9318 0.9318 2.3991 2.3991 2.4255 2.4255 3.2280 3.2280 3.4727 3.4727 3.8725 3.8725 4.0604 4.0604 4.3661 4.3661 4.4495 4.4495 4.7870 4.7870 5.1009 5.1009 11.7259 11.7259 11.9466 11.9466 12.1028 12.1028 12.1337 12.1337 12.9182 12.9182 k = 0.5500-0.0289 0.5307 ( 4545 PWs) bands (ev): -20.3581 -20.3581 -20.3326 -20.3326 -11.3781 -11.3781 -11.2612 -11.2612 -10.6465 -10.6465 -10.6451 -10.6451 -5.2469 -5.2469 -5.1548 -5.1548 -4.5307 -4.5307 -4.2343 -4.2343 -3.9969 -3.9969 -3.7747 -3.7747 0.6200 0.6200 0.9140 0.9140 2.4001 2.4001 2.4241 2.4241 3.2420 3.2420 3.4532 3.4532 3.8893 3.8893 4.0484 4.0484 4.3778 4.3778 4.4400 4.4400 4.8066 4.8066 5.0763 5.0763 11.7378 11.7378 11.9229 11.9229 12.0994 12.0994 12.1334 12.1334 12.9782 12.9782 k = 0.5417-0.0241 0.5443 ( 4541 PWs) bands (ev): -20.3564 -20.3564 -20.3343 -20.3343 -11.3704 -11.3704 -11.2695 -11.2695 -10.6463 -10.6463 -10.6451 -10.6451 -5.2449 -5.2449 -5.1564 -5.1564 -4.5309 -4.5309 -4.2333 -4.2333 -3.9987 -3.9987 -3.7739 -3.7739 0.6408 0.6408 0.8943 0.8943 2.4013 2.4013 2.4225 2.4225 3.2570 3.2570 3.4337 3.4337 3.9058 3.9058 4.0363 4.0363 4.3889 4.3889 4.4317 4.4317 4.8265 4.8265 5.0505 5.0505 11.7503 11.7503 11.8990 11.8990 12.0995 12.0995 12.1326 12.1326 13.0361 13.0361 k = 0.5333-0.0192 0.5579 ( 4532 PWs) bands (ev): -20.3545 -20.3545 -20.3362 -20.3362 -11.3619 -11.3619 -11.2785 -11.2785 -10.6461 -10.6461 -10.6451 -10.6451 -5.2431 -5.2431 -5.1578 -5.1578 -4.5312 -4.5312 -4.2323 -4.2323 -4.0004 -4.0004 -3.7732 -3.7732 0.6633 0.6633 0.8727 0.8727 2.4029 2.4029 2.4208 2.4208 3.2728 3.2728 3.4143 3.4143 3.9217 3.9217 4.0242 4.0242 4.3989 4.3989 4.4250 4.4250 4.8466 4.8466 5.0240 5.0240 11.7630 11.7630 11.8764 11.8764 12.1018 12.1018 12.1313 12.1313 13.0906 13.0906 k = 0.5250-0.0144 0.5715 ( 4528 PWs) bands (ev): -20.3524 -20.3524 -20.3383 -20.3383 -11.3527 -11.3527 -11.2882 -11.2882 -10.6460 -10.6460 -10.6451 -10.6451 -5.2416 -5.2416 -5.1591 -5.1591 -4.5314 -4.5314 -4.2314 -4.2314 -4.0019 -4.0019 -3.7726 -3.7726 0.6875 0.6875 0.8493 0.8493 2.4046 2.4046 2.4191 2.4191 3.2892 3.2892 3.3951 3.3951 3.9368 3.9368 4.0121 4.0121 4.4071 4.4071 4.4201 4.4201 4.8667 4.8667 4.9975 4.9975 11.7757 11.7757 11.8559 11.8559 12.1054 12.1054 12.1294 12.1294 13.1399 13.1399 k = 0.5167-0.0096 0.5852 ( 4526 PWs) bands (ev): -20.3502 -20.3502 -20.3405 -20.3405 -11.3428 -11.3428 -11.2985 -11.2985 -10.6460 -10.6460 -10.6450 -10.6450 -5.2403 -5.2403 -5.1601 -5.1601 -4.5315 -4.5315 -4.2307 -4.2307 -4.0031 -4.0031 -3.7721 -3.7721 0.7133 0.7133 0.8242 0.8242 2.4064 2.4064 2.4173 2.4173 3.3060 3.3060 3.3763 3.3763 3.9510 3.9510 4.0002 4.0002 4.4126 4.4126 4.4176 4.4176 4.8867 4.8867 4.9719 4.9719 11.7881 11.7881 11.8381 11.8381 12.1097 12.1097 12.1267 12.1267 13.1819 13.1819 k = 0.5083-0.0048 0.5988 ( 4540 PWs) bands (ev): -20.3479 -20.3479 -20.3428 -20.3428 -11.3321 -11.3321 -11.3094 -11.3094 -10.6459 -10.6459 -10.6450 -10.6450 -5.2395 -5.2395 -5.1608 -5.1608 -4.5316 -4.5316 -4.2302 -4.2302 -4.0038 -4.0038 -3.7719 -3.7719 0.7406 0.7406 0.7974 0.7974 2.4081 2.4081 2.4157 2.4157 3.3230 3.3230 3.3582 3.3582 3.9639 3.9639 3.9886 3.9886 4.4140 4.4140 4.4184 4.4184 4.9063 4.9063 4.9482 4.9482 11.7997 11.7997 11.8235 11.8235 12.1142 12.1142 12.1234 12.1234 13.2137 13.2137 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3209 -11.3209 -11.3208 -11.3208 -10.6459 -10.6459 -10.6450 -10.6450 -5.2392 -5.2392 -5.1610 -5.1610 -4.5317 -4.5317 -4.2300 -4.2300 -4.0041 -4.0041 -3.7718 -3.7718 0.7690 0.7690 0.7691 0.7691 2.4089 2.4089 2.4149 2.4149 3.3376 3.3376 3.3433 3.3433 3.9727 3.9727 3.9802 3.9802 4.4146 4.4146 4.4186 4.4186 4.9220 4.9220 4.9310 4.9310 11.8074 11.8074 11.8149 11.8149 12.1174 12.1174 12.1205 12.1205 13.2277 13.2277 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -20.3454 -20.3454 -20.3453 -20.3453 -11.3209 -11.3209 -11.3208 -11.3208 -10.6459 -10.6459 -10.6450 -10.6450 -5.2392 -5.2392 -5.1610 -5.1610 -4.5317 -4.5317 -4.2300 -4.2300 -4.0041 -4.0041 -3.7718 -3.7718 0.7690 0.7690 0.7691 0.7691 2.4089 2.4089 2.4149 2.4149 3.3376 3.3376 3.3433 3.3433 3.9727 3.9727 3.9802 3.9802 4.4146 4.4146 4.4186 4.4186 4.9220 4.9220 4.9310 4.9310 11.8074 11.8074 11.8149 11.8149 12.1174 12.1174 12.1205 12.1205 13.2277 13.2277 k = 0.5000 0.0100 0.5983 ( 4538 PWs) bands (ev): -20.3491 -20.3491 -20.3416 -20.3416 -11.3378 -11.3378 -11.3037 -11.3037 -10.6459 -10.6459 -10.6450 -10.6450 -5.2399 -5.2399 -5.1602 -5.1602 -4.5320 -4.5320 -4.2297 -4.2297 -4.0043 -4.0043 -3.7718 -3.7718 0.7266 0.7266 0.8117 0.8117 2.4067 2.4067 2.4159 2.4159 3.3156 3.3156 3.3660 3.3660 3.9599 3.9599 3.9939 3.9939 4.4123 4.4123 4.4203 4.4203 4.8982 4.8982 4.9560 4.9560 11.7967 11.7967 11.8274 11.8274 12.1106 12.1106 12.1238 12.1238 13.2122 13.2122 k = 0.5000 0.0199 0.5842 ( 4536 PWs) bands (ev): -20.3529 -20.3529 -20.3378 -20.3378 -11.3546 -11.3546 -11.2866 -11.2866 -10.6458 -10.6458 -10.6449 -10.6449 -5.2418 -5.2418 -5.1580 -5.1580 -4.5332 -4.5332 -4.2286 -4.2286 -4.0049 -4.0049 -3.7720 -3.7720 0.6842 0.6842 0.8543 0.8543 2.4019 2.4019 2.4169 2.4169 3.2918 3.2918 3.3918 3.3918 3.9449 3.9449 4.0114 4.0114 4.4085 4.4085 4.4221 4.4221 4.8720 4.8720 4.9860 4.9860 11.7851 11.7851 11.8442 11.8442 12.0992 12.0992 12.1251 12.1251 13.1909 13.1909 k = 0.5000 0.0299 0.5701 ( 4544 PWs) bands (ev): -20.3566 -20.3566 -20.3341 -20.3341 -11.3712 -11.3712 -11.2694 -11.2694 -10.6457 -10.6457 -10.6448 -10.6448 -5.2447 -5.2447 -5.1545 -5.1545 -4.5351 -4.5351 -4.2269 -4.2269 -4.0060 -4.0060 -3.7724 -3.7724 0.6421 0.6421 0.8968 0.8968 2.3956 2.3956 2.4170 2.4170 3.2691 3.2691 3.4180 3.4180 3.9308 3.9308 4.0292 4.0292 4.4049 4.4049 4.4224 4.4224 4.8475 4.8475 5.0167 5.0167 11.7755 11.7755 11.8620 11.8620 12.0849 12.0849 12.1236 12.1236 13.1725 13.1725 k = 0.5000 0.0398 0.5561 ( 4534 PWs) bands (ev): -20.3603 -20.3603 -20.3304 -20.3304 -11.3876 -11.3876 -11.2523 -11.2523 -10.6456 -10.6456 -10.6445 -10.6445 -5.2484 -5.2484 -5.1499 -5.1499 -4.5378 -4.5378 -4.2245 -4.2245 -4.0074 -4.0074 -3.7729 -3.7729 0.6005 0.6005 0.9392 0.9392 2.3881 2.3881 2.4160 2.4160 3.2475 3.2475 3.4443 3.4443 3.9179 3.9179 4.0469 4.0469 4.4022 4.4022 4.4207 4.4207 4.8254 4.8254 5.0478 5.0478 11.7683 11.7683 11.8794 11.8794 12.0681 12.0681 12.1203 12.1203 13.1578 13.1578 k = 0.5000 0.0498 0.5420 ( 4530 PWs) bands (ev): -20.3640 -20.3640 -20.3268 -20.3268 -11.4036 -11.4036 -11.2352 -11.2352 -10.6454 -10.6454 -10.6443 -10.6443 -5.2526 -5.2526 -5.1445 -5.1445 -4.5411 -4.5411 -4.2215 -4.2215 -4.0091 -4.0091 -3.7736 -3.7736 0.5592 0.5592 0.9814 0.9814 2.3795 2.3795 2.4136 2.4136 3.2273 3.2273 3.4706 3.4706 3.9060 3.9060 4.0640 4.0640 4.4009 4.4009 4.4166 4.4166 4.8059 4.8059 5.0792 5.0792 11.7632 11.7632 11.8951 11.8951 12.0497 12.0497 12.1170 12.1170 13.1467 13.1467 k = 0.5000 0.0597 0.5279 ( 4528 PWs) bands (ev): -20.3676 -20.3676 -20.3232 -20.3232 -11.4193 -11.4193 -11.2183 -11.2183 -10.6452 -10.6452 -10.6440 -10.6440 -5.2573 -5.2573 -5.1385 -5.1385 -4.5450 -4.5450 -4.2180 -4.2180 -4.0112 -4.0112 -3.7744 -3.7744 0.5186 0.5186 1.0233 1.0233 2.3699 2.3699 2.4101 2.4101 3.2086 3.2086 3.4966 3.4966 3.8954 3.8954 4.0797 4.0797 4.4012 4.4012 4.4105 4.4105 4.7893 4.7893 5.1108 5.1108 11.7602 11.7602 11.9071 11.9071 12.0303 12.0303 12.1160 12.1160 13.1389 13.1389 k = 0.5000 0.0697 0.5138 ( 4538 PWs) bands (ev): -20.3711 -20.3711 -20.3196 -20.3196 -11.4347 -11.4347 -11.2016 -11.2016 -10.6450 -10.6450 -10.6437 -10.6437 -5.2622 -5.2622 -5.1320 -5.1320 -4.5494 -4.5494 -4.2141 -4.2141 -4.0136 -4.0136 -3.7754 -3.7754 0.4786 0.4786 1.0648 1.0648 2.3594 2.3594 2.4053 2.4053 3.1914 3.1914 3.5222 3.5222 3.8858 3.8858 4.0934 4.0934 4.3971 4.3971 4.4085 4.4085 4.7759 4.7759 5.1422 5.1422 11.7588 11.7588 11.9130 11.9130 12.0110 12.0110 12.1200 12.1200 13.1337 13.1337 k = 0.5000 0.0796 0.4998 ( 4536 PWs) bands (ev): -20.3746 -20.3746 -20.3162 -20.3162 -11.4496 -11.4496 -11.1851 -11.1851 -10.6447 -10.6447 -10.6433 -10.6433 -5.2673 -5.2673 -5.1252 -5.1252 -4.5543 -4.5543 -4.2098 -4.2098 -4.0161 -4.0161 -3.7766 -3.7766 0.4395 0.4395 1.1059 1.1059 2.3481 2.3481 2.3994 2.3994 3.1758 3.1758 3.5474 3.5474 3.8774 3.8774 4.1045 4.1045 4.3850 4.3850 4.4152 4.4152 4.7656 4.7656 5.1735 5.1735 11.7583 11.7583 11.9117 11.9117 11.9930 11.9930 12.1309 12.1309 13.1304 13.1304 k = 0.5000 0.0896 0.4857 ( 4530 PWs) bands (ev): -20.3780 -20.3780 -20.3128 -20.3128 -11.4641 -11.4641 -11.1690 -11.1690 -10.6444 -10.6444 -10.6429 -10.6429 -5.2724 -5.2724 -5.1181 -5.1181 -4.5596 -4.5596 -4.2051 -4.2051 -4.0189 -4.0189 -3.7780 -3.7780 0.4012 0.4012 1.1466 1.1466 2.3362 2.3362 2.3923 2.3923 3.1618 3.1618 3.5720 3.5720 3.8701 3.8701 4.1123 4.1123 4.3693 4.3693 4.4263 4.4263 4.7582 4.7582 5.2045 5.2045 11.7577 11.7577 11.9033 11.9033 11.9778 11.9778 12.1489 12.1489 13.1282 13.1282 k = 0.5000 0.0995 0.4716 ( 4532 PWs) bands (ev): -20.3812 -20.3812 -20.3095 -20.3095 -11.4781 -11.4781 -11.1532 -11.1532 -10.6441 -10.6441 -10.6425 -10.6425 -5.2776 -5.2776 -5.1108 -5.1108 -4.5651 -4.5651 -4.2003 -4.2003 -4.0218 -4.0218 -3.7796 -3.7796 0.3639 0.3639 1.1867 1.1867 2.3237 2.3237 2.3840 2.3840 3.1495 3.1495 3.5959 3.5959 3.8638 3.8638 4.1169 4.1169 4.3510 4.3510 4.4415 4.4415 4.7534 4.7534 5.2351 5.2351 11.7555 11.7555 11.8897 11.8897 11.9671 11.9671 12.1726 12.1726 13.1262 13.1262 k = 0.5000 0.1095 0.4575 ( 4534 PWs) bands (ev): -20.3844 -20.3844 -20.3064 -20.3064 -11.4915 -11.4915 -11.1378 -11.1378 -10.6437 -10.6437 -10.6420 -10.6420 -5.2826 -5.2826 -5.1033 -5.1033 -4.5710 -4.5710 -4.1952 -4.1952 -4.0248 -4.0248 -3.7813 -3.7813 0.3278 0.3278 1.2262 1.2262 2.3109 2.3109 2.3747 2.3747 3.1387 3.1387 3.6192 3.6192 3.8584 3.8584 4.1184 4.1184 4.3307 4.3307 4.4601 4.4601 4.7507 4.7507 5.2652 5.2652 11.7502 11.7502 11.8726 11.8726 11.9628 11.9628 12.2007 12.2007 13.1147 13.1147 k = 0.5000 0.1195 0.4434 ( 4532 PWs) bands (ev): -20.3875 -20.3875 -20.3033 -20.3033 -11.5045 -11.5045 -11.1229 -11.1229 -10.6433 -10.6433 -10.6416 -10.6416 -5.2877 -5.2877 -5.0958 -5.0958 -4.5770 -4.5770 -4.1901 -4.1901 -4.0279 -4.0279 -3.7833 -3.7833 0.2929 0.2929 1.2651 1.2651 2.2978 2.2978 2.3643 2.3643 3.1295 3.1295 3.6416 3.6416 3.8541 3.8541 4.1171 4.1171 4.3087 4.3087 4.4817 4.4817 4.7499 4.7499 5.2946 5.2946 11.7409 11.7409 11.8537 11.8537 11.9660 11.9660 12.2317 12.2317 13.0763 13.0763 k = 0.5000 0.1294 0.4294 ( 4530 PWs) bands (ev): -20.3904 -20.3904 -20.3004 -20.3004 -11.5168 -11.5168 -11.1084 -11.1084 -10.6429 -10.6429 -10.6411 -10.6411 -5.2926 -5.2926 -5.0883 -5.0883 -4.5831 -4.5831 -4.1849 -4.1849 -4.0309 -4.0309 -3.7854 -3.7854 0.2594 0.2594 1.3033 1.3033 2.2847 2.2847 2.3529 2.3529 3.1218 3.1218 3.6633 3.6633 3.8506 3.8506 4.1134 4.1134 4.2856 4.2856 4.5055 4.5055 4.7504 4.7504 5.3234 5.3234 11.7276 11.7276 11.8342 11.8342 11.9771 11.9771 12.2647 12.2647 13.0369 13.0369 k = 0.5000 0.1394 0.4153 ( 4534 PWs) bands (ev): -20.3932 -20.3932 -20.2976 -20.2976 -11.5285 -11.5285 -11.0946 -11.0946 -10.6425 -10.6425 -10.6406 -10.6406 -5.2973 -5.2973 -5.0808 -5.0808 -4.5893 -4.5893 -4.1797 -4.1797 -4.0338 -4.0338 -3.7878 -3.7878 0.2273 0.2273 1.3407 1.3407 2.2716 2.2716 2.3406 2.3406 3.1155 3.1155 3.6842 3.6842 3.8481 3.8481 4.1079 4.1079 4.2617 4.2617 4.5307 4.5307 4.7520 4.7520 5.3515 5.3515 11.7110 11.7110 11.8148 11.8148 11.9952 11.9952 12.2990 12.2990 12.9985 12.9985 k = 0.5000 0.1493 0.4012 ( 4534 PWs) bands (ev): -20.3959 -20.3959 -20.2950 -20.2950 -11.5396 -11.5396 -11.0814 -11.0814 -10.6421 -10.6421 -10.6401 -10.6401 -5.3019 -5.3019 -5.0734 -5.0734 -4.5955 -4.5955 -4.1747 -4.1747 -4.0367 -4.0367 -3.7902 -3.7902 0.1967 0.1967 1.3773 1.3773 2.2587 2.2587 2.3274 2.3274 3.1104 3.1104 3.7042 3.7042 3.8464 3.8464 4.1010 4.1010 4.2374 4.2374 4.5568 4.5568 4.7543 4.7543 5.3786 5.3786 11.6923 11.6923 11.7962 11.7962 12.0195 12.0195 12.3341 12.3341 12.9615 12.9615 k = 0.5000 0.1593 0.3871 ( 4532 PWs) bands (ev): -20.3984 -20.3984 -20.2925 -20.2925 -11.5501 -11.5501 -11.0688 -11.0688 -10.6417 -10.6417 -10.6396 -10.6396 -5.3063 -5.3063 -5.0661 -5.0661 -4.6017 -4.6017 -4.1698 -4.1698 -4.0394 -4.0394 -3.7928 -3.7928 0.1678 0.1678 1.4129 1.4129 2.2461 2.2461 2.3135 2.3135 3.1066 3.1066 3.7234 3.7234 3.8455 3.8455 4.0930 4.0930 4.2130 4.2130 4.5830 4.5830 4.7571 4.7571 5.4047 5.4047 11.6725 11.6725 11.7786 11.7786 12.0490 12.0490 12.3696 12.3696 12.9262 12.9262 k = 0.5000 0.1692 0.3731 ( 4528 PWs) bands (ev): -20.4008 -20.4008 -20.2901 -20.2901 -11.5598 -11.5598 -11.0570 -11.0570 -10.6413 -10.6413 -10.6392 -10.6392 -5.3105 -5.3105 -5.0589 -5.0589 -4.6077 -4.6077 -4.1650 -4.1650 -4.0419 -4.0419 -3.7954 -3.7954 0.1406 0.1406 1.4476 1.4476 2.2340 2.2340 2.2989 2.2989 3.1038 3.1038 3.7418 3.7418 3.8454 3.8454 4.0842 4.0842 4.1888 4.1888 4.6090 4.6090 4.7602 4.7602 5.4297 5.4297 11.6524 11.6524 11.7624 11.7624 12.0830 12.0830 12.4050 12.4050 12.8927 12.8927 k = 0.5000 0.1792 0.3590 ( 4532 PWs) bands (ev): -20.4030 -20.4030 -20.2879 -20.2879 -11.5688 -11.5688 -11.0459 -11.0459 -10.6409 -10.6409 -10.6387 -10.6387 -5.3144 -5.3144 -5.0521 -5.0521 -4.6135 -4.6135 -4.1605 -4.1605 -4.0442 -4.0442 -3.7981 -3.7981 0.1153 0.1153 1.4811 1.4811 2.2224 2.2224 2.2837 2.2837 3.1020 3.1020 3.7594 3.7594 3.8462 3.8462 4.0749 4.0749 4.1650 4.1650 4.6341 4.6341 4.7634 4.7634 5.4534 5.4534 11.6326 11.6326 11.7478 11.7478 12.1208 12.1208 12.4401 12.4401 12.8612 12.8612 k = 0.5000 0.1891 0.3449 ( 4528 PWs) bands (ev): -20.4050 -20.4050 -20.2859 -20.2859 -11.5772 -11.5772 -11.0356 -11.0356 -10.6406 -10.6406 -10.6382 -10.6382 -5.3181 -5.3181 -5.0455 -5.0455 -4.6191 -4.6191 -4.1564 -4.1564 -4.0463 -4.0463 -3.8008 -3.8008 0.0918 0.0918 1.5133 1.5133 2.2115 2.2115 2.2682 2.2682 3.1009 3.1009 3.7761 3.7761 3.8477 3.8477 4.0651 4.0651 4.1419 4.1419 4.6581 4.6581 4.7666 4.7666 5.4758 5.4758 11.6135 11.6135 11.7347 11.7347 12.1619 12.1619 12.4745 12.4745 12.8318 12.8318 k = 0.5000 0.1991 0.3308 ( 4530 PWs) bands (ev): -20.4069 -20.4069 -20.2841 -20.2841 -11.5848 -11.5848 -11.0262 -11.0262 -10.6402 -10.6402 -10.6378 -10.6378 -5.3214 -5.3214 -5.0393 -5.0393 -4.6244 -4.6244 -4.1525 -4.1525 -4.0481 -4.0481 -3.8034 -3.8034 0.0704 0.0704 1.5441 1.5441 2.2013 2.2013 2.2525 2.2525 3.1006 3.1006 3.7919 3.7919 3.8500 3.8500 4.0551 4.0551 4.1197 4.1197 4.6806 4.6806 4.7698 4.7698 5.4967 5.4967 11.5954 11.5954 11.7233 11.7233 12.2060 12.2060 12.5081 12.5081 12.8047 12.8047 k = 0.5000 0.2090 0.3167 ( 4524 PWs) bands (ev): -20.4086 -20.4086 -20.2824 -20.2824 -11.5916 -11.5916 -11.0177 -11.0177 -10.6399 -10.6399 -10.6374 -10.6374 -5.3245 -5.3245 -5.0335 -5.0335 -4.6294 -4.6294 -4.1490 -4.1490 -4.0497 -4.0497 -3.8059 -3.8059 0.0510 0.0510 1.5733 1.5733 2.1920 2.1920 2.2368 2.2368 3.1007 3.1007 3.8067 3.8067 3.8532 3.8532 4.0449 4.0449 4.0986 4.0986 4.7013 4.7013 4.7728 4.7728 5.5159 5.5159 11.5787 11.5787 11.7134 11.7134 12.2524 12.2524 12.5405 12.5405 12.7802 12.7802 k = 0.5000 0.2190 0.3027 ( 4530 PWs) bands (ev): -20.4101 -20.4101 -20.2809 -20.2809 -11.5976 -11.5976 -11.0100 -11.0100 -10.6396 -10.6396 -10.6371 -10.6371 -5.3273 -5.3273 -5.0282 -5.0282 -4.6340 -4.6340 -4.1459 -4.1459 -4.0510 -4.0510 -3.8084 -3.8084 0.0337 0.0337 1.6006 1.6006 2.1836 2.1836 2.2213 2.2213 3.1012 3.1012 3.8205 3.8205 3.8572 3.8572 4.0345 4.0345 4.0789 4.0789 4.7200 4.7200 4.7756 4.7756 5.5332 5.5332 11.5635 11.5635 11.7051 11.7051 12.3007 12.3007 12.5714 12.5714 12.7584 12.7584 k = 0.5000 0.2289 0.2886 ( 4530 PWs) bands (ev): -20.4114 -20.4114 -20.2796 -20.2796 -11.6029 -11.6029 -11.0034 -11.0034 -10.6394 -10.6394 -10.6368 -10.6368 -5.3298 -5.3298 -5.0234 -5.0234 -4.6381 -4.6381 -4.1433 -4.1433 -4.0520 -4.0520 -3.8106 -3.8106 0.0186 0.0186 1.6256 1.6256 2.1762 2.1762 2.2065 2.2065 3.1020 3.1020 3.8330 3.8330 3.8621 3.8621 4.0240 4.0240 4.0609 4.0609 4.7364 4.7364 4.7782 4.7782 5.5487 5.5487 11.5500 11.5500 11.6981 11.6981 12.3503 12.3503 12.6006 12.6006 12.7396 12.7396 k = 0.5000 0.2389 0.2745 ( 4528 PWs) bands (ev): -20.4125 -20.4125 -20.2785 -20.2785 -11.6074 -11.6074 -10.9977 -10.9977 -10.6391 -10.6391 -10.6365 -10.6365 -5.3319 -5.3319 -5.0192 -5.0192 -4.6417 -4.6417 -4.1410 -4.1410 -4.0528 -4.0528 -3.8126 -3.8126 0.0058 0.0058 1.6481 1.6481 2.1698 2.1698 2.1927 2.1927 3.1029 3.1029 3.8439 3.8439 3.8679 3.8679 4.0134 4.0134 4.0451 4.0451 4.7504 4.7504 4.7805 4.7805 5.5620 5.5620 11.5384 11.5384 11.6926 11.6926 12.4003 12.4003 12.6276 12.6276 12.7240 12.7240 k = 0.5000 0.2489 0.2604 ( 4534 PWs) bands (ev): -20.4134 -20.4134 -20.2776 -20.2776 -11.6111 -11.6111 -10.9930 -10.9930 -10.6390 -10.6390 -10.6362 -10.6362 -5.3336 -5.3336 -5.0157 -5.0157 -4.6447 -4.6447 -4.1392 -4.1392 -4.0534 -4.0534 -3.8142 -3.8142 -0.0048 -0.0048 1.6675 1.6675 2.1644 2.1644 2.1804 2.1804 3.1038 3.1038 3.8530 3.8530 3.8745 3.8745 4.0028 4.0028 4.0318 4.0318 4.7618 4.7618 4.7827 4.7827 5.5731 5.5731 11.5287 11.5287 11.6882 11.6882 12.4492 12.4492 12.6519 12.6519 12.7121 12.7121 k = 0.5000 0.2588 0.2464 ( 4536 PWs) bands (ev): -20.4141 -20.4141 -20.2769 -20.2769 -11.6140 -11.6140 -10.9893 -10.9893 -10.6388 -10.6388 -10.6361 -10.6361 -5.3349 -5.3349 -5.0129 -5.0129 -4.6471 -4.6471 -4.1378 -4.1378 -4.0539 -4.0539 -3.8156 -3.8156 -0.0130 -0.0130 1.6834 1.6834 2.1601 2.1601 2.1702 2.1702 3.1046 3.1046 3.8602 3.8602 3.8815 3.8815 3.9927 3.9927 4.0212 4.0212 4.7703 4.7703 4.7849 4.7849 5.5818 5.5818 11.5211 11.5211 11.6849 11.6849 12.4948 12.4948 12.6727 12.6727 12.7045 12.7045 k = 0.5000 0.2688 0.2323 ( 4532 PWs) bands (ev): -20.4146 -20.4146 -20.2764 -20.2764 -11.6160 -11.6160 -10.9867 -10.9867 -10.6387 -10.6387 -10.6359 -10.6359 -5.3359 -5.3359 -5.0109 -5.0109 -4.6489 -4.6489 -4.1368 -4.1368 -4.0541 -4.0541 -3.8166 -3.8166 -0.0190 -0.0190 1.6952 1.6952 2.1567 2.1567 2.1627 2.1627 3.1053 3.1053 3.8654 3.8654 3.8879 3.8879 3.9840 3.9840 4.0136 4.0136 4.7758 4.7758 4.7872 4.7872 5.5881 5.5881 11.5156 11.5156 11.6826 11.6826 12.5332 12.5332 12.6891 12.6891 12.7019 12.7019 k = 0.5000 0.2787 0.2182 ( 4518 PWs) bands (ev): -20.4149 -20.4149 -20.2761 -20.2761 -11.6172 -11.6172 -10.9851 -10.9851 -10.6386 -10.6386 -10.6358 -10.6358 -5.3365 -5.3365 -5.0097 -5.0097 -4.6499 -4.6499 -4.1362 -4.1362 -4.0543 -4.0543 -3.8172 -3.8172 -0.0225 -0.0225 1.7025 1.7025 2.1541 2.1541 2.1585 2.1585 3.1057 3.1057 3.8686 3.8686 3.8925 3.8925 3.9780 3.9780 4.0090 4.0090 4.7785 4.7785 4.7890 4.7890 5.5920 5.5920 11.5123 11.5123 11.6813 11.6813 12.5592 12.5592 12.6995 12.6995 12.7039 12.7039 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -20.4150 -20.4150 -20.2760 -20.2760 -11.6176 -11.6176 -10.9846 -10.9846 -10.6386 -10.6386 -10.6358 -10.6358 -5.3367 -5.3367 -5.0093 -5.0093 -4.6503 -4.6503 -4.1360 -4.1360 -4.0543 -4.0543 -3.8174 -3.8174 -0.0237 -0.0237 1.7050 1.7050 2.1530 2.1530 2.1573 2.1573 3.1058 3.1058 3.8698 3.8698 3.8942 3.8942 3.9758 3.9758 4.0074 4.0074 4.7793 4.7793 4.7898 4.7898 5.5933 5.5933 11.5112 11.5112 11.6809 11.6809 12.5683 12.5683 12.7028 12.7028 12.7062 12.7062 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -20.4150 -20.4150 -20.2760 -20.2760 -11.6176 -11.6176 -10.9846 -10.9846 -10.6386 -10.6386 -10.6358 -10.6358 -5.3367 -5.3367 -5.0093 -5.0093 -4.6503 -4.6503 -4.1360 -4.1360 -4.0543 -4.0543 -3.8174 -3.8174 -0.0237 -0.0237 1.7050 1.7050 2.1530 2.1530 2.1573 2.1573 3.1058 3.1058 3.8698 3.8698 3.8942 3.8942 3.9758 3.9758 4.0074 4.0074 4.7793 4.7793 4.7898 4.7898 5.5933 5.5933 11.5112 11.5112 11.6809 11.6809 12.5683 12.5683 12.7028 12.7028 12.7062 12.7062 k = 0.4950 0.2858 0.2205 ( 4515 PWs) bands (ev): -20.4149 -20.4149 -20.2761 -20.2761 -11.6172 -11.6172 -10.9851 -10.9851 -10.6386 -10.6386 -10.6358 -10.6358 -5.3365 -5.3365 -5.0097 -5.0097 -4.6499 -4.6499 -4.1362 -4.1362 -4.0543 -4.0543 -3.8172 -3.8172 -0.0225 -0.0225 1.7025 1.7025 2.1541 2.1541 2.1585 2.1585 3.1057 3.1057 3.8686 3.8686 3.8925 3.8925 3.9780 3.9780 4.0090 4.0090 4.7785 4.7785 4.7890 4.7890 5.5920 5.5920 11.5123 11.5123 11.6813 11.6813 12.5591 12.5591 12.6997 12.6997 12.7037 12.7037 k = 0.4900 0.2829 0.2368 ( 4532 PWs) bands (ev): -20.4146 -20.4146 -20.2764 -20.2764 -11.6160 -11.6160 -10.9867 -10.9867 -10.6387 -10.6387 -10.6359 -10.6359 -5.3359 -5.3359 -5.0109 -5.0109 -4.6489 -4.6489 -4.1368 -4.1368 -4.0541 -4.0541 -3.8166 -3.8166 -0.0189 -0.0189 1.6951 1.6951 2.1567 2.1567 2.1627 2.1627 3.1053 3.1053 3.8654 3.8654 3.8878 3.8878 3.9841 3.9841 4.0137 4.0137 4.7757 4.7757 4.7871 4.7871 5.5881 5.5881 11.5157 11.5157 11.6827 11.6827 12.5328 12.5328 12.6924 12.6924 12.6984 12.6984 k = 0.4850 0.2800 0.2531 ( 4530 PWs) bands (ev): -20.4141 -20.4141 -20.2769 -20.2769 -11.6139 -11.6139 -10.9894 -10.9894 -10.6388 -10.6388 -10.6361 -10.6361 -5.3349 -5.3349 -5.0130 -5.0130 -4.6471 -4.6471 -4.1378 -4.1378 -4.0538 -4.0538 -3.8156 -3.8156 -0.0129 -0.0129 1.6832 1.6832 2.1602 2.1602 2.1703 2.1703 3.1046 3.1046 3.8602 3.8602 3.8812 3.8812 3.9930 3.9930 4.0213 4.0213 4.7703 4.7703 4.7848 4.7848 5.5817 5.5817 11.5212 11.5212 11.6849 11.6849 12.4937 12.4937 12.6843 12.6843 12.6925 12.6925 k = 0.4800 0.2771 0.2694 ( 4533 PWs) bands (ev): -20.4134 -20.4134 -20.2776 -20.2776 -11.6110 -11.6110 -10.9931 -10.9931 -10.6390 -10.6390 -10.6362 -10.6362 -5.3336 -5.3336 -5.0158 -5.0158 -4.6447 -4.6447 -4.1392 -4.1392 -4.0534 -4.0534 -3.8142 -3.8142 -0.0046 -0.0046 1.6672 1.6672 2.1645 2.1645 2.1806 2.1806 3.1038 3.1038 3.8535 3.8535 3.8736 3.8736 4.0035 4.0035 4.0316 4.0316 4.7618 4.7618 4.7825 4.7825 5.5729 5.5729 11.5289 11.5289 11.6882 11.6882 12.4470 12.4470 12.6745 12.6745 12.6881 12.6881 k = 0.4750 0.2742 0.2858 ( 4531 PWs) bands (ev): -20.4125 -20.4125 -20.2786 -20.2786 -11.6073 -11.6073 -10.9978 -10.9978 -10.6391 -10.6391 -10.6365 -10.6365 -5.3318 -5.3318 -5.0193 -5.0193 -4.6416 -4.6416 -4.1410 -4.1410 -4.0528 -4.0528 -3.8125 -3.8125 0.0061 0.0061 1.6476 1.6476 2.1699 2.1699 2.1930 2.1930 3.1029 3.1029 3.8455 3.8455 3.8655 3.8655 4.0151 4.0151 4.0444 4.0444 4.7505 4.7505 4.7801 4.7801 5.5617 5.5617 11.5386 11.5386 11.6927 11.6927 12.3964 12.3964 12.6630 12.6630 12.6854 12.6854 k = 0.4700 0.2714 0.3021 ( 4528 PWs) bands (ev): -20.4113 -20.4113 -20.2797 -20.2797 -11.6028 -11.6028 -11.0035 -11.0035 -10.6394 -10.6394 -10.6368 -10.6368 -5.3297 -5.3297 -5.0235 -5.0235 -4.6380 -4.6380 -4.1433 -4.1433 -4.0520 -4.0520 -3.8105 -3.8105 0.0190 0.0190 1.6250 1.6250 2.1764 2.1764 2.2069 2.2069 3.1019 3.1019 3.8365 3.8365 3.8572 3.8572 4.0272 4.0272 4.0593 4.0593 4.7368 4.7368 4.7773 4.7773 5.5483 5.5483 11.5503 11.5503 11.6983 11.6983 12.3443 12.3443 12.6505 12.6505 12.6831 12.6831 k = 0.4650 0.2685 0.3184 ( 4530 PWs) bands (ev): -20.4100 -20.4100 -20.2810 -20.2810 -11.5975 -11.5975 -11.0103 -11.0103 -10.6396 -10.6396 -10.6371 -10.6371 -5.3272 -5.3272 -5.0283 -5.0283 -4.6338 -4.6338 -4.1460 -4.1460 -4.0509 -4.0509 -3.8083 -3.8083 0.0342 0.0342 1.5997 1.5997 2.1839 2.1839 2.2218 2.2218 3.1011 3.1011 3.8267 3.8267 3.8490 3.8490 4.0398 4.0398 4.0760 4.0760 4.7208 4.7208 4.7739 4.7739 5.5329 5.5329 11.5639 11.5639 11.7053 11.7053 12.2921 12.2921 12.6377 12.6377 12.6803 12.6803 k = 0.4600 0.2656 0.3348 ( 4526 PWs) bands (ev): -20.4085 -20.4085 -20.2825 -20.2825 -11.5914 -11.5914 -11.0179 -11.0179 -10.6399 -10.6399 -10.6374 -10.6374 -5.3244 -5.3244 -5.0337 -5.0337 -4.6292 -4.6292 -4.1492 -4.1492 -4.0496 -4.0496 -3.8059 -3.8059 0.0516 0.0516 1.5723 1.5723 2.1925 2.1925 2.2373 2.2373 3.1005 3.1005 3.8161 3.8161 3.8408 3.8408 4.0529 4.0529 4.0941 4.0941 4.7030 4.7030 4.7699 4.7699 5.5156 5.5156 11.5792 11.5792 11.7137 11.7137 12.2409 12.2409 12.6250 12.6250 12.6765 12.6765 k = 0.4550 0.2627 0.3511 ( 4529 PWs) bands (ev): -20.4068 -20.4068 -20.2841 -20.2841 -11.5845 -11.5845 -11.0265 -11.0265 -10.6403 -10.6403 -10.6378 -10.6378 -5.3213 -5.3213 -5.0395 -5.0395 -4.6242 -4.6242 -4.1527 -4.1527 -4.0480 -4.0480 -3.8033 -3.8033 0.0711 0.0711 1.5429 1.5429 2.2020 2.2020 2.2530 2.2530 3.1002 3.1002 3.8049 3.8049 3.8329 3.8329 4.0664 4.0664 4.1131 4.1131 4.6836 4.6836 4.7652 4.7652 5.4967 5.4967 11.5960 11.5960 11.7237 11.7237 12.1914 12.1914 12.6125 12.6125 12.6711 12.6711 k = 0.4500 0.2598 0.3674 ( 4527 PWs) bands (ev): -20.4050 -20.4050 -20.2860 -20.2860 -11.5768 -11.5768 -11.0360 -11.0360 -10.6406 -10.6406 -10.6383 -10.6383 -5.3180 -5.3180 -5.0458 -5.0458 -4.6188 -4.6188 -4.1567 -4.1567 -4.0460 -4.0460 -3.8007 -3.8007 0.0927 0.0927 1.5119 1.5119 2.2123 2.2123 2.2688 2.2688 3.1003 3.1003 3.7932 3.7932 3.8251 3.8251 4.0804 4.0804 4.1328 4.1328 4.6631 4.6631 4.7596 4.7596 5.4764 5.4764 11.6140 11.6140 11.7352 11.7352 12.1442 12.1442 12.6005 12.6005 12.6635 12.6635 k = 0.4450 0.2569 0.3838 ( 4534 PWs) bands (ev): -20.4029 -20.4029 -20.2880 -20.2880 -11.5685 -11.5685 -11.0463 -11.0463 -10.6410 -10.6410 -10.6387 -10.6387 -5.3143 -5.3143 -5.0524 -5.0524 -4.6131 -4.6131 -4.1610 -4.1610 -4.0438 -4.0438 -3.7980 -3.7980 0.1162 0.1162 1.4795 1.4795 2.2235 2.2235 2.2844 2.2844 3.1008 3.1008 3.7810 3.7810 3.8177 3.8177 4.0947 4.0947 4.1526 4.1526 4.6418 4.6418 4.7529 4.7529 5.4550 5.4550 11.6329 11.6329 11.7483 11.7483 12.1000 12.1000 12.5891 12.5891 12.6534 12.6534 k = 0.4400 0.2540 0.4001 ( 4530 PWs) bands (ev): -20.4007 -20.4007 -20.2902 -20.2902 -11.5594 -11.5594 -11.0574 -11.0574 -10.6414 -10.6414 -10.6392 -10.6392 -5.3104 -5.3104 -5.0593 -5.0593 -4.6072 -4.6072 -4.1656 -4.1656 -4.0413 -4.0413 -3.7954 -3.7954 0.1416 0.1416 1.4459 1.4459 2.2354 2.2354 2.2997 2.2997 3.1020 3.1020 3.7684 3.7684 3.8105 3.8105 4.1096 4.1096 4.1722 4.1722 4.6204 4.6204 4.7451 4.7451 5.4327 5.4327 11.6523 11.6523 11.7630 11.7630 12.0597 12.0597 12.5785 12.5785 12.6404 12.6404 k = 0.4350 0.2511 0.4164 ( 4532 PWs) bands (ev): -20.3983 -20.3983 -20.2926 -20.2926 -11.5497 -11.5497 -11.0692 -11.0692 -10.6419 -10.6419 -10.6396 -10.6396 -5.3063 -5.3063 -5.0665 -5.0665 -4.6010 -4.6010 -4.1706 -4.1706 -4.0384 -4.0384 -3.7928 -3.7928 0.1686 0.1686 1.4112 1.4112 2.2480 2.2480 2.3144 2.3144 3.1037 3.1037 3.7552 3.7552 3.8036 3.8036 4.1248 4.1248 4.1908 4.1908 4.5996 4.5996 4.7359 4.7359 5.4100 5.4100 11.6713 11.6713 11.7790 11.7790 12.0242 12.0242 12.5686 12.5686 12.6243 12.6243 k = 0.4300 0.2483 0.4327 ( 4535 PWs) bands (ev): -20.3958 -20.3958 -20.2951 -20.2951 -11.5393 -11.5393 -11.0816 -11.0816 -10.6424 -10.6424 -10.6401 -10.6401 -5.3020 -5.3020 -5.0738 -5.0738 -4.5947 -4.5947 -4.1758 -4.1758 -4.0353 -4.0353 -3.7904 -3.7904 0.1973 0.1973 1.3757 1.3757 2.2610 2.2610 2.3286 2.3286 3.1061 3.1061 3.7417 3.7417 3.7972 3.7972 4.1404 4.1404 4.2077 4.2077 4.5805 4.5805 4.7253 4.7253 5.3872 5.3872 11.6889 11.6889 11.7962 11.7962 11.9950 11.9950 12.5596 12.5596 12.6049 12.6049 k = 0.4250 0.2454 0.4491 ( 4539 PWs) bands (ev): -20.3932 -20.3932 -20.2977 -20.2977 -11.5283 -11.5283 -11.0946 -11.0946 -10.6429 -10.6429 -10.6406 -10.6406 -5.2976 -5.2976 -5.0812 -5.0812 -4.5883 -4.5883 -4.1813 -4.1813 -4.0319 -4.0319 -3.7881 -3.7881 0.2274 0.2274 1.3394 1.3394 2.2745 2.2745 2.3421 2.3421 3.1092 3.1092 3.7278 3.7278 3.7913 3.7913 4.1564 4.1564 4.2217 4.2217 4.5642 4.5642 4.7130 4.7130 5.3645 5.3645 11.7036 11.7036 11.8142 11.8142 11.9740 11.9740 12.5514 12.5514 12.5822 12.5822 k = 0.4200 0.2425 0.4654 ( 4537 PWs) bands (ev): -20.3904 -20.3904 -20.3004 -20.3004 -11.5167 -11.5167 -11.1081 -11.1081 -10.6434 -10.6434 -10.6411 -10.6411 -5.2931 -5.2931 -5.0886 -5.0886 -4.5819 -4.5819 -4.1869 -4.1869 -4.0283 -4.0283 -3.7860 -3.7860 0.2587 0.2587 1.3025 1.3025 2.2882 2.2882 2.3548 2.3548 3.1129 3.1129 3.7136 3.7136 3.7859 3.7859 4.1726 4.1726 4.2317 4.2317 4.5521 4.5521 4.6991 4.6991 5.3424 5.3424 11.7133 11.7133 11.8331 11.8331 11.9631 11.9631 12.5434 12.5434 12.5568 12.5568 k = 0.4150 0.2396 0.4817 ( 4535 PWs) bands (ev): -20.3875 -20.3875 -20.3033 -20.3033 -11.5047 -11.5047 -11.1220 -11.1220 -10.6439 -10.6439 -10.6416 -10.6416 -5.2886 -5.2886 -5.0961 -5.0961 -4.5754 -4.5754 -4.1927 -4.1927 -4.0244 -4.0244 -3.7841 -3.7841 0.2910 0.2910 1.2652 1.2652 2.3020 2.3020 2.3668 2.3668 3.1173 3.1173 3.6990 3.6990 3.7810 3.7810 4.1891 4.1891 4.2365 4.2365 4.5456 4.5456 4.6833 4.6833 5.3211 5.3211 11.7166 11.7166 11.8532 11.8532 11.9634 11.9634 12.5246 12.5246 12.5401 12.5401 k = 0.4100 0.2367 0.4981 ( 4533 PWs) bands (ev): -20.3846 -20.3846 -20.3062 -20.3062 -11.4923 -11.4923 -11.1362 -11.1362 -10.6444 -10.6444 -10.6420 -10.6420 -5.2840 -5.2840 -5.1035 -5.1035 -4.5689 -4.5689 -4.1986 -4.1986 -4.0202 -4.0202 -3.7825 -3.7825 0.3240 0.3240 1.2277 1.2277 2.3158 2.3158 2.3780 2.3780 3.1223 3.1223 3.6842 3.6842 3.7769 3.7769 4.2056 4.2056 4.2354 4.2354 4.5457 4.5457 4.6656 4.6656 5.3010 5.3010 11.7137 11.7137 11.8748 11.8748 11.9737 11.9737 12.4931 12.4931 12.5343 12.5343 k = 0.4050 0.2338 0.5144 ( 4525 PWs) bands (ev): -20.3816 -20.3816 -20.3092 -20.3092 -11.4796 -11.4796 -11.1506 -11.1506 -10.6449 -10.6449 -10.6425 -10.6425 -5.2795 -5.2795 -5.1107 -5.1107 -4.5626 -4.5626 -4.2046 -4.2046 -4.0158 -4.0158 -3.7811 -3.7811 0.3574 0.3574 1.1903 1.1903 2.3294 2.3294 2.3883 2.3883 3.1279 3.1279 3.6692 3.6692 3.7735 3.7735 4.2210 4.2210 4.2294 4.2294 4.5523 4.5523 4.6462 4.6462 5.2823 5.2823 11.7067 11.7067 11.8981 11.8981 11.9916 11.9916 12.4585 12.4585 12.5301 12.5301 k = 0.4000 0.2309 0.5307 ( 4531 PWs) bands (ev): -20.3785 -20.3785 -20.3122 -20.3122 -11.4668 -11.4668 -11.1648 -11.1648 -10.6454 -10.6454 -10.6430 -10.6430 -5.2751 -5.2751 -5.1178 -5.1178 -4.5563 -4.5563 -4.2106 -4.2106 -4.0112 -4.0112 -3.7801 -3.7801 0.3907 0.3907 1.1533 1.1533 2.3427 2.3427 2.3978 2.3978 3.1339 3.1339 3.6541 3.6541 3.7710 3.7710 4.2152 4.2152 4.2397 4.2397 4.5649 4.5649 4.6253 4.6253 5.2651 5.2651 11.6979 11.6979 11.9224 11.9224 12.0145 12.0145 12.4224 12.4224 12.5271 12.5271 k = 0.3950 0.2281 0.5471 ( 4523 PWs) bands (ev): -20.3755 -20.3755 -20.3152 -20.3152 -11.4541 -11.4541 -11.1788 -11.1788 -10.6460 -10.6460 -10.6434 -10.6434 -5.2709 -5.2709 -5.1245 -5.1245 -4.5503 -4.5503 -4.2167 -4.2167 -4.0065 -4.0065 -3.7793 -3.7793 0.4234 0.4234 1.1173 1.1173 2.3554 2.3554 2.4063 2.4063 3.1404 3.1404 3.6390 3.6390 3.7694 3.7694 4.1995 4.1995 4.2555 4.2555 4.5820 4.5820 4.6034 4.6034 5.2497 5.2497 11.6894 11.6894 11.9469 11.9469 12.0402 12.0402 12.3858 12.3858 12.5251 12.5251 k = 0.3900 0.2252 0.5634 ( 4529 PWs) bands (ev): -20.3726 -20.3726 -20.3181 -20.3181 -11.4417 -11.4417 -11.1922 -11.1922 -10.6464 -10.6464 -10.6438 -10.6438 -5.2670 -5.2670 -5.1308 -5.1308 -4.5445 -4.5445 -4.2227 -4.2227 -4.0015 -4.0015 -3.7789 -3.7789 0.4546 0.4546 1.0828 1.0828 2.3674 2.3674 2.4140 2.4140 3.1472 3.1472 3.6239 3.6239 3.7688 3.7688 4.1814 4.1814 4.2704 4.2704 4.5795 4.5795 4.6042 4.6042 5.2360 5.2360 11.6822 11.6822 11.9701 11.9701 12.0669 12.0669 12.3507 12.3507 12.5243 12.5243 k = 0.3850 0.2223 0.5797 ( 4533 PWs) bands (ev): -20.3699 -20.3699 -20.3208 -20.3208 -11.4301 -11.4301 -11.2046 -11.2046 -10.6469 -10.6469 -10.6443 -10.6443 -5.2635 -5.2635 -5.1366 -5.1366 -4.5389 -4.5389 -4.2287 -4.2287 -3.9963 -3.9963 -3.7789 -3.7789 0.4835 0.4835 1.0508 1.0508 2.3786 2.3786 2.4207 2.4207 3.1543 3.1543 3.6090 3.6090 3.7693 3.7693 4.1620 4.1620 4.2837 4.2837 4.5573 4.5573 4.6276 4.6276 5.2241 5.2241 11.6771 11.6771 11.9902 11.9902 12.0927 12.0927 12.3200 12.3200 12.5244 12.5244 k = 0.3800 0.2194 0.5960 ( 4530 PWs) bands (ev): -20.3676 -20.3676 -20.3232 -20.3232 -11.4198 -11.4198 -11.2154 -11.2154 -10.6474 -10.6474 -10.6447 -10.6447 -5.2604 -5.2604 -5.1418 -5.1418 -4.5337 -4.5337 -4.2347 -4.2347 -3.9910 -3.9910 -3.7791 -3.7791 0.5085 0.5085 1.0226 1.0226 2.3886 2.3886 2.4264 2.4264 3.1616 3.1616 3.5945 3.5945 3.7711 3.7711 4.1423 4.1423 4.2938 4.2938 4.5368 4.5368 4.6532 4.6532 5.2139 5.2139 11.6744 11.6744 12.0044 12.0044 12.1150 12.1150 12.2988 12.2988 12.5257 12.5257 k = 0.3750 0.2165 0.6124 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6478 -10.6478 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2053 5.2053 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.6250-0.0722 0.4082 ( 4526 PWs) bands (ev): -20.3657 -20.3657 -20.3250 -20.3250 -11.4116 -11.4116 -11.2239 -11.2239 -10.6477 -10.6477 -10.6451 -10.6451 -5.2581 -5.2581 -5.1462 -5.1462 -4.5288 -4.5288 -4.2405 -4.2405 -3.9855 -3.9855 -3.7797 -3.7797 0.5279 0.5279 0.9998 0.9998 2.3975 2.3975 2.4311 2.4311 3.1691 3.1691 3.5803 3.5803 3.7740 3.7740 4.1231 4.1231 4.2989 4.2989 4.5203 4.5203 4.6802 4.6802 5.2054 5.2054 11.6740 11.6740 12.0089 12.0089 12.1315 12.1315 12.2925 12.2925 12.5279 12.5279 k = 0.6167-0.0866 0.4082 ( 4530 PWs) bands (ev): -20.3632 -20.3632 -20.3275 -20.3275 -11.4003 -11.4003 -11.2352 -11.2352 -10.6484 -10.6484 -10.6457 -10.6457 -5.2548 -5.2548 -5.1527 -5.1527 -4.5209 -4.5209 -4.2503 -4.2503 -3.9760 -3.9760 -3.7813 -3.7813 0.5539 0.5539 0.9679 0.9679 2.4108 2.4108 2.4379 2.4379 3.1823 3.1823 3.5572 3.5572 3.7799 3.7799 4.0920 4.0920 4.3021 4.3021 4.4982 4.4982 4.7255 4.7255 5.1926 5.1926 11.6765 11.6765 12.0028 12.0028 12.1536 12.1536 12.3016 12.3016 12.5312 12.5312 k = 0.6083-0.1010 0.4082 ( 4542 PWs) bands (ev): -20.3608 -20.3608 -20.3299 -20.3299 -11.3895 -11.3895 -11.2458 -11.2458 -10.6490 -10.6490 -10.6464 -10.6464 -5.2516 -5.2516 -5.1592 -5.1592 -4.5127 -4.5127 -4.2603 -4.2603 -3.9663 -3.9663 -3.7832 -3.7832 0.5781 0.5781 0.9375 0.9375 2.4235 2.4235 2.4448 2.4448 3.1964 3.1964 3.5342 3.5342 3.7854 3.7854 4.0618 4.0618 4.3054 4.3054 4.4772 4.4772 4.7695 4.7695 5.1802 5.1802 11.6816 11.6816 11.9908 11.9908 12.1748 12.1748 12.3195 12.3195 12.5320 12.5320 k = 0.6000-0.1155 0.4082 ( 4542 PWs) bands (ev): -20.3586 -20.3586 -20.3321 -20.3321 -11.3793 -11.3793 -11.2557 -11.2557 -10.6496 -10.6496 -10.6471 -10.6471 -5.2485 -5.2485 -5.1654 -5.1654 -4.5043 -4.5043 -4.2704 -4.2704 -3.9565 -3.9565 -3.7856 -3.7856 0.6007 0.6007 0.9087 0.9087 2.4356 2.4356 2.4518 2.4518 3.2112 3.2112 3.5116 3.5116 3.7905 3.7905 4.0326 4.0326 4.3087 4.3087 4.4574 4.4574 4.8117 4.8117 5.1682 5.1682 11.6891 11.6891 11.9745 11.9745 12.1954 12.1954 12.3445 12.3445 12.5308 12.5308 k = 0.5917-0.1299 0.4082 ( 4542 PWs) bands (ev): -20.3565 -20.3565 -20.3342 -20.3342 -11.3696 -11.3696 -11.2649 -11.2649 -10.6501 -10.6501 -10.6478 -10.6478 -5.2456 -5.2456 -5.1715 -5.1715 -4.4956 -4.4956 -4.2806 -4.2806 -3.9466 -3.9466 -3.7885 -3.7885 0.6215 0.6215 0.8816 0.8816 2.4469 2.4469 2.4588 2.4588 3.2265 3.2265 3.4895 3.4895 3.7952 3.7952 4.0045 4.0045 4.3120 4.3120 4.4388 4.4388 4.8520 4.8520 5.1567 5.1567 11.6987 11.6987 11.9555 11.9555 12.2156 12.2156 12.3745 12.3745 12.5280 12.5280 k = 0.5833-0.1443 0.4082 ( 4530 PWs) bands (ev): -20.3546 -20.3546 -20.3361 -20.3361 -11.3605 -11.3605 -11.2734 -11.2734 -10.6507 -10.6507 -10.6486 -10.6486 -5.2428 -5.2428 -5.1773 -5.1773 -4.4867 -4.4867 -4.2908 -4.2908 -3.9366 -3.9366 -3.7917 -3.7917 0.6405 0.6405 0.8565 0.8565 2.4574 2.4574 2.4659 2.4659 3.2420 3.2420 3.4682 3.4682 3.7996 3.7996 3.9775 3.9775 4.3153 4.3153 4.4216 4.4216 4.8899 4.8899 5.1458 5.1458 11.7101 11.7101 11.9353 11.9353 12.2360 12.2360 12.4077 12.4077 12.5242 12.5242 k = 0.5750-0.1588 0.4082 ( 4522 PWs) bands (ev): -20.3529 -20.3529 -20.3378 -20.3378 -11.3522 -11.3522 -11.2811 -11.2811 -10.6511 -10.6511 -10.6493 -10.6493 -5.2402 -5.2402 -5.1829 -5.1829 -4.4776 -4.4776 -4.3010 -4.3010 -3.9268 -3.9268 -3.7954 -3.7954 0.6578 0.6578 0.8333 0.8333 2.4670 2.4670 2.4729 2.4729 3.2576 3.2576 3.4479 3.4479 3.8036 3.8036 3.9519 3.9519 4.3186 4.3186 4.4058 4.4058 4.9253 4.9253 5.1356 5.1356 11.7229 11.7229 11.9149 11.9149 12.2570 12.2570 12.4426 12.4426 12.5196 12.5196 k = 0.5667-0.1732 0.4082 ( 4534 PWs) bands (ev): -20.3513 -20.3513 -20.3394 -20.3394 -11.3446 -11.3446 -11.2880 -11.2880 -10.6516 -10.6516 -10.6500 -10.6500 -5.2376 -5.2376 -5.1881 -5.1881 -4.4684 -4.4684 -4.3112 -4.3112 -3.9170 -3.9170 -3.7995 -3.7995 0.6732 0.6732 0.8123 0.8123 2.4757 2.4757 2.4798 2.4798 3.2729 3.2729 3.4288 3.4288 3.8072 3.8072 3.9278 3.9278 4.3217 4.3217 4.3914 4.3914 4.9577 4.9577 5.1261 5.1261 11.7365 11.7365 11.8952 11.8952 12.2790 12.2790 12.4779 12.4779 12.5147 12.5147 k = 0.5583-0.1876 0.4082 ( 4542 PWs) bands (ev): -20.3500 -20.3500 -20.3408 -20.3408 -11.3377 -11.3377 -11.2942 -11.2942 -10.6520 -10.6520 -10.6507 -10.6507 -5.2352 -5.2352 -5.1931 -5.1931 -4.4590 -4.4590 -4.3214 -4.3214 -3.9074 -3.9074 -3.8040 -3.8040 0.6867 0.6867 0.7936 0.7936 2.4834 2.4834 2.4864 2.4864 3.2877 3.2877 3.4112 3.4112 3.8105 3.8105 3.9054 3.9054 4.3246 4.3246 4.3786 4.3786 4.9871 4.9871 5.1175 5.1175 11.7504 11.7504 11.8767 11.8767 12.3025 12.3025 12.5084 12.5084 12.5139 12.5139 k = 0.5500-0.2021 0.4082 ( 4528 PWs) bands (ev): -20.3487 -20.3487 -20.3420 -20.3420 -11.3317 -11.3317 -11.2996 -11.2996 -10.6523 -10.6523 -10.6513 -10.6513 -5.2328 -5.2328 -5.1977 -5.1977 -4.4496 -4.4496 -4.3315 -4.3315 -3.8980 -3.8980 -3.8089 -3.8089 0.6985 0.6985 0.7772 0.7772 2.4901 2.4901 2.4927 2.4927 3.3017 3.3017 3.3953 3.3953 3.8133 3.8133 3.8849 3.8849 4.3272 4.3272 4.3673 4.3673 5.0130 5.0130 5.1098 5.1098 11.7640 11.7640 11.8599 11.8599 12.3280 12.3280 12.5046 12.5046 12.5458 12.5458 k = 0.5417-0.2165 0.4082 ( 4524 PWs) bands (ev): -20.3477 -20.3477 -20.3430 -20.3430 -11.3265 -11.3265 -11.3041 -11.3041 -10.6526 -10.6526 -10.6519 -10.6519 -5.2305 -5.2305 -5.2019 -5.2019 -4.4400 -4.4400 -4.3415 -4.3415 -3.8888 -3.8888 -3.8143 -3.8143 0.7084 0.7084 0.7631 0.7631 2.4960 2.4960 2.4982 2.4982 3.3145 3.3145 3.3813 3.3813 3.8158 3.8158 3.8668 3.8668 4.3296 4.3296 4.3576 4.3576 5.0353 5.0353 5.1032 5.1032 11.7767 11.7767 11.8452 11.8452 12.3557 12.3557 12.5003 12.5003 12.5758 12.5758 k = 0.5333-0.2309 0.4082 ( 4516 PWs) bands (ev): -20.3469 -20.3469 -20.3438 -20.3438 -11.3222 -11.3222 -11.3078 -11.3078 -10.6529 -10.6529 -10.6524 -10.6524 -5.2282 -5.2282 -5.2058 -5.2058 -4.4304 -4.4304 -4.3516 -4.3516 -3.8799 -3.8799 -3.8201 -3.8201 0.7165 0.7165 0.7516 0.7516 2.5010 2.5010 2.5028 2.5028 3.3257 3.3257 3.3695 3.3695 3.8178 3.8178 3.8512 3.8512 4.3316 4.3316 4.3497 4.3497 5.0539 5.0539 5.0976 5.0976 11.7879 11.7879 11.8327 11.8327 12.3857 12.3857 12.4965 12.4965 12.6021 12.6021 k = 0.5250-0.2454 0.4082 ( 4520 PWs) bands (ev): -20.3462 -20.3462 -20.3445 -20.3445 -11.3189 -11.3189 -11.3108 -11.3108 -10.6531 -10.6531 -10.6527 -10.6527 -5.2259 -5.2259 -5.2094 -5.2094 -4.4207 -4.4207 -4.3615 -4.3615 -3.8712 -3.8712 -3.8263 -3.8263 0.7228 0.7228 0.7425 0.7425 2.5051 2.5051 2.5065 2.5065 3.3349 3.3349 3.3601 3.3601 3.8194 3.8194 3.8386 3.8386 4.3332 4.3332 4.3434 4.3434 5.0685 5.0685 5.0933 5.0933 11.7972 11.7972 11.8228 11.8228 12.4174 12.4174 12.4933 12.4933 12.6236 12.6236 k = 0.5167-0.2598 0.4082 ( 4524 PWs) bands (ev): -20.3457 -20.3457 -20.3450 -20.3450 -11.3165 -11.3165 -11.3128 -11.3128 -10.6532 -10.6532 -10.6530 -10.6530 -5.2235 -5.2235 -5.2127 -5.2127 -4.4109 -4.4109 -4.3715 -4.3715 -3.8628 -3.8628 -3.8328 -3.8328 0.7273 0.7273 0.7360 0.7360 2.5082 2.5082 2.5091 2.5091 3.3419 3.3419 3.3533 3.3533 3.8205 3.8205 3.8292 3.8292 4.3344 4.3344 4.3389 4.3389 5.0790 5.0790 5.0901 5.0901 11.8041 11.8041 11.8157 11.8157 12.4492 12.4492 12.4911 12.4911 12.6396 12.6396 k = 0.5083-0.2742 0.4082 ( 4528 PWs) bands (ev): -20.3455 -20.3455 -20.3453 -20.3453 -11.3150 -11.3150 -11.3141 -11.3141 -10.6533 -10.6533 -10.6532 -10.6532 -5.2211 -5.2211 -5.2157 -5.2157 -4.4011 -4.4011 -4.3814 -4.3814 -3.8548 -3.8548 -3.8398 -3.8398 0.7299 0.7299 0.7321 0.7321 2.5101 2.5101 2.5106 2.5106 3.3462 3.3462 3.3491 3.3491 3.8212 3.8212 3.8235 3.8235 4.3351 4.3351 4.3362 4.3362 5.0854 5.0854 5.0882 5.0882 11.8084 11.8084 11.8113 11.8113 12.4764 12.4764 12.4896 12.4896 12.6495 12.6495 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -20.3454 -20.3454 -20.3454 -20.3454 -11.3145 -11.3145 -11.3145 -11.3145 -10.6533 -10.6533 -10.6533 -10.6533 -5.2185 -5.2185 -5.2185 -5.2185 -4.3913 -4.3913 -4.3913 -4.3913 -3.8471 -3.8471 -3.8471 -3.8471 0.7308 0.7308 0.7308 0.7308 2.5109 2.5109 2.5109 2.5109 3.3477 3.3477 3.3477 3.3477 3.8215 3.8215 3.8215 3.8215 4.3353 4.3353 4.3353 4.3353 5.0875 5.0875 5.0875 5.0875 11.8098 11.8098 11.8098 11.8098 12.4887 12.4887 12.4887 12.4887 12.6534 12.6534 Writing output data file RbAlO2.save init_run : 0.40s CPU 0.53s WALL ( 1 calls) electrons : 187.44s CPU 189.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 187.43s CPU 189.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 272 calls) cegterg : 167.98s CPU 169.86s WALL ( 332 calls) Called by sum_band: Called by *egterg: h_psi : 95.39s CPU 96.40s WALL ( 5903 calls) s_psi : 10.22s CPU 10.23s WALL ( 5903 calls) g_psi : 0.22s CPU 0.23s WALL ( 5299 calls) cdiaghg : 57.31s CPU 57.55s WALL ( 5571 calls) cegterg:over : 6.26s CPU 6.53s WALL ( 5299 calls) cegterg:upda : 5.68s CPU 6.19s WALL ( 5299 calls) cegterg:last : 3.01s CPU 3.02s WALL ( 960 calls) cdiaghg:chol : 3.29s CPU 3.28s WALL ( 5571 calls) cdiaghg:inve : 2.38s CPU 2.36s WALL ( 5571 calls) cdiaghg:para : 4.04s CPU 3.91s WALL ( 11142 calls) Called by h_psi: h_psi:vloc : 80.98s CPU 81.92s WALL ( 5903 calls) h_psi:vnl : 14.18s CPU 14.25s WALL ( 5903 calls) add_vuspsi : 7.78s CPU 7.44s WALL ( 5903 calls) General routines calbec : 6.38s CPU 6.78s WALL ( 5903 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.06s CPU 76.14s WALL ( 734360 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.30s WALL ( 544 calls) Parallel routines fft_scatter : 25.51s CPU 25.68s WALL ( 734383 calls) PWSCF : 3m23.28s CPU 3m34.95s WALL This run was terminated on: 19:37:12 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=